SMILES,Mutagenicity.json,Probability(0),Probability(1),Nr Neighbors,Warnings
5be09868ca626912469b13e3,0,0.6119585417337126,0.38804145826628744,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09868ca626912469b13e4,0,0.5157650189402272,0.48423498105977286,8,
5be09868ca626912469b13e5,0,0.6420300100118642,0.3579699899881358,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09868ca626912469b13e6,0,0.4652024051190886,0.3347975948809114,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09868ca626912469b13e7,0,0.392514075111411,0.044985924888589046,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09868ca626912469b13e8,0,0.5365778625484526,0.46342213745154737,7,
5be09868ca626912469b13e9,0,0.5365778625484526,0.46342213745154737,7,
5be09868ca626912469b13ea,0,0.7969924812030075,0.2030075187969925,3,
5be05cdfca62690ccff8b413,1,0.0,1.0,4,
5be09868ca626912469b13eb,0,0.5157650189402272,0.48423498105977286,8,
5be09868ca626912469b13ec,0,0.6139958237998978,0.20743274762867359,3,
5be09868ca626912469b13ed,1,0.0,0.696969696969697,2,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0971bca6269115aca0a53,0,0.5072463768115942,0.4927536231884058,5,
5be09868ca626912469b13ee,1,0.216,0.784,6,
5be09868ca626912469b13ef,0,0.28424935594520473,0.12751534993714825,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09868ca626912469b13f0,0,0.4979850699077264,0.32019674827409195,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be05d9eca62690d88d701e4,0,0.27053403710672375,0.20315017341959207,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09868ca626912469b13f1,0,0.5555555555555556,0.0,5,
5be09868ca626912469b13f2,0,0.6153846153846154,0.0,2,
5be09868ca626912469b13f3,0,0.26153582301374584,0.223312661834739,15,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09868ca626912469b13f4,0,0.42154209161689865,0.31758834316571005,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b13f5,0,0.470168504373376,0.19649816229329065,7,
5be09869ca626912469b13f6,0,0.470168504373376,0.19649816229329065,7,
5be09869ca626912469b13f7,0,0.4000028323797655,0.21764422644376394,6,
5be09869ca626912469b13f8,0,0.2703657120743034,0.259046052631579,4,
5be09869ca626912469b13f9,1,0.4068892388170508,0.4079255759977639,7,
5be09869ca626912469b13fa,1,0.38776194150821147,0.43982426538834035,10,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b13fb,0,0.3309037721433437,0.30242956118998965,6,
5be09869ca626912469b13fc,1,0.0,0.7857142857142857,4,
5be09869ca626912469b13fd,0,0.2938975987152688,0.23943573461806447,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b13fe,0,0.47258144459964857,0.35500476229690314,3,
5be09869ca626912469b13ff,1,0.3092783505154639,0.3573883161512027,2,
5be09869ca626912469b1400,0,0.45161290322580644,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1401,0,0.46241576873451884,0.3068150004962503,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1402,0,0.34634003556896414,0.2965171072881788,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1403,0,0.5572362730569028,0.1324188993568903,5,
5be09869ca626912469b1404,0,0.2626405310275851,0.09847058008352598,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1405,0,0.3055555555555556,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1406,0,0.32372494432304366,0.17627505567695634,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1407,0,0.5909090909090909,0.0,2,
5be09869ca626912469b1408,0,0.392514075111411,0.044985924888589046,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1409,0,0.2593544538981432,0.17814554610185676,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b140a,0,0.2857142857142857,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b140b,0,0.19205592433045637,0.08701384311140409,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b140c,0,0.4510846514322364,0.38224868190109695,5,
5be09869ca626912469b140d,0,0.3558280634692595,0.18471247707128108,3,
5be09869ca626912469b140e,1,0.216,0.784,6,
5be09869ca626912469b140f,0,0.40830730951836897,0.25835935714829766,5,
5be09869ca626912469b1410,0,0.5157650189402272,0.48423498105977286,8,
5be09869ca626912469b1411,0,0.2856205450554517,0.19825042268648377,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1412,0,0.26322662615117837,0.1812178182932661,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1413,0,0.23611118878486842,0.1638888112151316,15,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1414,0,0.3142857142857143,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1415,0,0.2486890024973366,0.016016879855604547,16,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1416,0,0.3470230565727756,0.059226943427224385,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1417,0,0.39098125170698317,0.20901874829301678,6,
5be09869ca626912469b1418,0,0.2595968476031186,0.14949406148779057,15,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1419,0,0.2702702702702703,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b141a,0,0.34285714285714286,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b141b,0,0.5882352941176471,0.0,2,
5be09869ca626912469b141c,0,0.5251060820367751,0.15346534653465346,4,
5be09869ca626912469b141d,0,0.5728453007305349,0.22025814754532727,4,
5be09869ca626912469b141e,0,0.5428571428571428,0.0,2,
5be09869ca626912469b141f,1,0.1667864845434939,0.5117849440279347,7,
5be09869ca626912469b1420,1,0.1667864845434939,0.5117849440279347,7,
5be09720ca6269115aca0b22,1,0.0,1.0,5,
5be09869ca626912469b1421,0,0.3395225464190982,0.27586206896551724,2,
5be09869ca626912469b1422,0,0.34705286204309826,0.09739158240134618,42,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1423,0,0.5161290322580645,0.0,4,
5be09869ca626912469b1424,0,0.6139958237998978,0.20743274762867359,3,
5be09869ca626912469b1425,1,0.0,0.5,2,
5be09869ca626912469b1426,0,0.3558280634692595,0.18471247707128108,3,
5be09869ca626912469b1427,0,0.1822271510511737,0.13595466713064452,16,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1428,0,0.23175295193067963,0.12824704806932039,16,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b1429,0,0.19161847571240684,0.10004819095425986,23,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09869ca626912469b142a,0,0.2894266259150751,0.15501781852936936,18,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be05d8eca62690d88d6fe8c,0,0.5078636959370905,0.20642201834862384,3,
5be09869ca626912469b142b,0,0.49506269245400997,0.287546003198164,17,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b142c,0,0.3832971898768875,0.25670281012311247,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b142d,0,0.27516000798754187,0.2075986127021134,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b142e,0,0.26745922846022285,0.21529939222943242,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b142f,0,0.37220465987589274,0.18335089567966278,3,
5be0986aca626912469b1430,0,0.2970008297595263,0.21912820249853818,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1431,0,0.2919588889222006,0.24137444441113268,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1432,1,0.060501816305425664,0.2994981836945743,156,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1433,0,0.470014854872899,0.12257773771969355,5,
5be0986aca626912469b1434,1,0.0,0.47058823529411764,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1435,0,0.2753152048448804,0.18622325669358114,17,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1436,1,0.26941436423212584,0.3112307970581968,6,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1437,1,0.0,0.3783783783783784,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1438,0,0.2558139534883721,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1439,0,0.5714285714285714,0.0,2,
5be0986aca626912469b143a,0,0.6923076923076923,0.0,2,
5be0986aca626912469b143b,1,0.0800732771099204,0.46538126834462507,4,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b143c,0,0.5517241379310345,0.0,4,
5be0986aca626912469b143d,0,0.5517241379310345,0.0,4,
5be0986aca626912469b143e,0,0.2835393632226243,0.19794211825885713,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b143f,0,0.19630040992363024,0.15369959007636977,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1440,0,0.18817766548595752,0.1451556678473758,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1441,0,0.30064119690088165,0.19935880309911833,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1442,0,0.6521739130434783,0.0,2,
5be0986aca626912469b1443,0,0.27288029478785203,0.22711970521214794,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1444,0,0.3054498355688126,0.23301170289272585,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1445,0,0.2793022544253616,0.22069774557463848,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1446,0,0.5517241379310345,0.0,2,
5be0986aca626912469b1447,0,0.36363636363636365,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1448,0,0.34634003556896414,0.2965171072881788,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1449,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be0986aca626912469b144a,0,0.28417505246690555,0.1674378507589009,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b144b,0,0.28706532856047046,0.15043467143952952,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b144c,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be0986aca626912469b144d,0,0.2858085989830005,0.10704854387414238,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b144e,0,0.4573180462692192,0.23833412764382428,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b144f,0,0.5072463768115942,0.4927536231884058,5,
5be0986aca626912469b1450,0,0.4000028323797655,0.21764422644376394,6,
5be0986aca626912469b1451,0,0.4600179694519317,0.3018867924528302,2,
5be0986aca626912469b1452,0,0.31163946307178975,0.22682207538974866,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1453,0,0.7619047619047619,0.0,4,
5be0986aca626912469b1454,0,0.34237387091484667,0.22905470051372476,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1455,0,0.33297009743619843,0.28607752161142064,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1456,0,0.2642454235194777,0.21575457648052232,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1457,0,0.26666666666666666,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1458,0,0.2894736842105263,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b1459,0,0.37427310058030805,0.26858404227683486,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b145a,0,0.35809418024776685,0.2572904351368486,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b145b,0,0.39959522580346796,0.24326191705367492,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b145c,1,0.0,0.6551724137931034,4,
5be0986aca626912469b145d,0,0.32459307480192967,0.23540692519807033,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b145e,0,0.3650728407490377,0.27778430210810523,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986aca626912469b145f,0,0.6666666666666666,0.3333333333333333,2,
5be0986bca626912469b1460,0,0.33297009743619843,0.28607752161142064,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1461,0,0.6119585417337126,0.38804145826628744,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1462,0,0.470168504373376,0.19649816229329065,7,
5be0986bca626912469b1463,1,0.2787177674853848,0.3998536610860438,8,
5be0986bca626912469b1464,0,0.470014854872899,0.12257773771969355,5,
5be0986bca626912469b1465,0,0.310265885414069,0.289734114585931,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1466,1,0.0,0.6363636363636364,2,
5be0986bca626912469b1467,1,0.216,0.784,6,
5be0986bca626912469b1468,1,0.0,1.0,5,
5be0986bca626912469b1469,0,0.6139958237998978,0.20743274762867359,3,
5be0986bca626912469b146a,1,0.0,0.6551724137931034,4,
5be0986bca626912469b146b,0,0.5072463768115942,0.4927536231884058,5,
5be0986bca626912469b146c,0,0.2535659620740241,0.1839340379259759,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b146d,0,0.26282193490882283,0.18162250953562162,17,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b146e,0,0.23778721906814937,0.17600588438012643,16,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b146f,0,0.3090400088160377,0.20947850970248072,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1470,0,0.3533886906255498,0.20911130937445022,17,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1471,1,0.3478933127174333,0.4333566872825667,4,
5be0986bca626912469b1472,0,0.2557002335133923,0.19591266971241408,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1473,0,0.7969924812030075,0.2030075187969925,3,
5be0986bca626912469b1474,0,0.47258144459964857,0.35500476229690314,3,
5be05d6dca62690d88d6f709,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be0986bca626912469b1475,1,0.4534377766432428,0.5465622233567572,11,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1476,0,0.6060606060606061,0.0,2,
5be0986bca626912469b1477,0,0.5126179076584049,0.14255450613469856,4,
5be0986bca626912469b1478,0,0.4600179694519317,0.3018867924528302,2,
5be0986bca626912469b1479,0,0.43035119178738923,0.2593039806264039,5,
5be0986bca626912469b147a,0,0.24222944016888615,0.1577705598311139,20,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b147b,0,0.3654137863591521,0.2345862136408479,24,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b147c,0,0.41935483870967744,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b147d,1,0.0,0.6363636363636364,2,
5be0986bca626912469b147e,1,0.16554988231205098,0.334450117687949,7,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b147f,0,0.2839393149017563,0.2760606850982438,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1480,0,0.4652024051190886,0.3347975948809114,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1481,1,0.3934297165760091,0.4279988548525622,7,
5be0986bca626912469b1482,1,0.216,0.784,6,
5be0986bca626912469b1483,1,0.0,0.6551724137931034,4,
5be0986bca626912469b1484,0,0.23809523809523808,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1485,0,0.17399973530703225,0.13034809077992432,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1486,1,0.1406876950512706,0.4218123049487294,4,
5be0986bca626912469b1487,0,0.5185387426993256,0.25565480568777127,7,
5be0986bca626912469b1488,0,0.281686954964051,0.21831304503594895,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1489,0,0.5172413793103449,0.0,2,
5be0986bca626912469b148a,0,0.5135135135135135,0.0,2,
5be0986bca626912469b148b,0,0.29642801092094767,0.20357198907905238,9,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b148c,0,0.24850337678356096,0.220246623216439,15,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b148d,0,0.3179610384298207,0.23376309950121377,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b148e,0,0.26577778306247324,0.18876767148298126,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b148f,0,0.2129818101606198,0.15543924247095917,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1490,0,0.2507068328343664,0.16595983383230034,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1491,1,0.20793225826536332,0.39206774173463665,9,
5be0986bca626912469b1492,0,0.20730968809316078,0.15380142301795033,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986bca626912469b1493,1,0.20793225826536332,0.39206774173463665,9,
5be0986bca626912469b1494,0,0.22734801324787487,0.16659138069151905,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b1495,0,0.28856817858666284,0.288354898336414,6,
5be0986cca626912469b1496,0,0.23230377116892487,0.16769622883107516,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b1497,0,0.5,0.0,2,
5be0986cca626912469b1498,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be0986cca626912469b1499,0,0.3309278383697404,0.3212460746737379,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b149a,0,0.23118067692050606,0.1372403757110729,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b149b,0,0.30199786900537084,0.23854267153516973,12,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b149c,0,0.2805949966193374,0.05273833671399595,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b149d,0,0.3479429877905031,0.1814687769153793,12,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b149e,0,0.47127271758869166,0.21622728241130834,12,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b149f,0,0.5710722525588149,0.18754843709635755,4,
5be0986cca626912469b14a0,0,0.2581949383342319,0.21055506166576807,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14a1,0,0.37463533648343406,0.22536466351656592,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14a2,0,0.14419667916849546,0.11896121556834663,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14a3,0,0.47722259944728646,0.2955046732799862,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14a4,0,0.42465832887592736,0.3026143983968,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14a5,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be0986cca626912469b14a6,0,0.5710722525588149,0.18754843709635755,4,
5be0986cca626912469b14a7,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be0986cca626912469b14a8,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be0986cca626912469b14a9,0,0.3045558803665262,0.07779706080994434,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14aa,0,0.47691473925281025,0.2187374346602332,3,
5be0986cca626912469b14ab,0,0.2577465399800425,0.15250987027636773,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14ac,0,0.5365778625484526,0.46342213745154737,7,
5be0986cca626912469b14ad,0,0.4510846514322364,0.38224868190109695,5,
5be0986cca626912469b14ae,0,0.6666666666666666,0.3333333333333333,2,
5be0986cca626912469b14af,1,0.16554988231205098,0.334450117687949,7,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14b0,0,0.4000028323797655,0.21764422644376394,6,
5be0986cca626912469b14b1,0,0.33297009743619843,0.28607752161142064,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14b2,0,0.3741354982004716,0.12586450179952835,30,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14b3,0,0.30891053907393556,0.2083308402364093,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14b4,0,0.6328929442701896,0.181921870544625,4,
5be0986cca626912469b14b5,0,0.24885604185212967,0.20568941269332486,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14b6,0,0.3171399654329913,0.23458417249804317,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14b7,0,0.3832971898768875,0.25670281012311247,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14b8,0,0.27403114071592194,0.19471885928407806,16,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14b9,0,0.49179626481264177,0.2908124308395321,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14ba,1,0.2702702702702703,0.31796502384737674,2,
5be0986cca626912469b14bb,0,0.5714285714285714,0.0,2,
5be0986cca626912469b14bc,0,0.4059328324537868,0.28637485985390543,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14bd,0,0.3075743954199271,0.25242560458007296,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14be,0,0.26666666666666666,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14bf,1,0.3478933127174333,0.4333566872825667,4,
5be0986cca626912469b14c0,0,0.2739950482964099,0.22600495170359003,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14c1,0,0.34338363007888356,0.334035724759826,11,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14c2,0,0.21850950519765908,0.13149049480234096,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14c3,0,0.45161290322580644,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14c4,1,0.11847465466010867,0.1254277843642816,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14c5,0,0.16903446097204422,0.1535461841892461,8,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14c6,1,0.4068892388170508,0.4079255759977639,7,
5be0986cca626912469b14c7,1,0.0,0.28205128205128205,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14c8,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be0986cca626912469b14c9,0,0.5126179076584049,0.14255450613469856,4,
5be0986cca626912469b14ca,1,0.20906548214178486,0.2119871494371625,9,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14cb,0,0.24066484517304193,0.051001821493624776,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14cc,0,0.2129352674561182,0.15548578517546074,15,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14cd,0,0.24432245991859575,0.2039534021503698,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986cca626912469b14ce,0,0.2642454235194777,0.21575457648052232,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14cf,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be0986dca626912469b14d0,0,0.21039226158121335,0.17670451261233497,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14d1,0,0.1970034598588387,0.16663290377752493,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14d2,0,0.43035119178738923,0.2593039806264039,5,
5be0986dca626912469b14d3,1,0.38776194150821147,0.43982426538834035,10,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14d4,0,0.17399973530703225,0.13034809077992432,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14d5,0,0.49117232918354925,0.3088276708164508,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14d6,0,0.2858085989830005,0.10704854387414238,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14d7,0,0.45161290322580644,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14d8,0,0.3333333333333333,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14d9,0,0.2970008297595263,0.21912820249853818,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14da,0,0.6119585417337126,0.38804145826628744,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14db,0,0.375,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14dc,0,0.28291151998813185,0.2170884800118682,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14dd,0,0.35592425004189704,0.055840455840455834,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14de,0,0.4411764705882353,0.0,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14df,0,0.4222557152261496,0.046494284773850494,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14e0,1,0.2933677279304834,0.496105956280043,9,
5be0986dca626912469b14e1,0,0.5714285714285714,0.0,2,
5be0986dca626912469b14e2,0,0.273001914078861,0.22699808592113901,19,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14e3,0,0.35450788985611154,0.07406353871531701,53,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14e4,0,0.2756972847172672,0.18858842956844707,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14e5,0,0.6153846153846154,0.0,5,
5be0986dca626912469b14e6,1,0.23820928820371465,0.4436088936144671,9,
5be0986dca626912469b14e7,0,0.2919588889222006,0.24137444441113268,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14e8,0,0.45195895522388063,0.14179104477611942,4,
5be0986dca626912469b14e9,0,0.5853241162010566,0.17329657345411578,4,
5be0986dca626912469b14ea,0,0.3309037721433437,0.30242956118998965,6,
5be0986dca626912469b14eb,0,0.3452467670076878,0.2380865663256456,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14ec,1,0.2391512416153578,0.2456972432331271,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14ed,0,0.6153846153846154,0.0,2,
5be0986dca626912469b14ee,0,0.2855875110751974,0.18809669945111834,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14ef,0,0.3946212602619312,0.2592248935842227,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14f0,0,0.18837668306921343,0.17828998359745324,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14f1,0,0.28796400449943754,0.28346456692913385,2,
5be0986dca626912469b14f2,0,0.38733852936217034,0.27932813730449635,17,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14f3,0,0.5087741023658944,0.3094077158159239,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14f4,1,0.31380777800044796,0.3313535123221327,8,
5be0986dca626912469b14f5,1,0.31380777800044796,0.3313535123221327,8,
5be0986dca626912469b14f6,0,0.26680424866373026,0.19986241800293644,15,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14f7,0,0.26364930150630905,0.24986421200720438,17,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14f8,0,0.2846244959622793,0.19813412472737593,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14f9,0,0.3294497922068696,0.22610576334868596,5,
5be0986dca626912469b14fa,0,0.3294497922068696,0.22610576334868596,5,
5be0986dca626912469b14fb,0,0.4008811601724486,0.29142653213524367,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14fc,0,0.3829982655649631,0.2598588772921799,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b14fd,0,0.28856817858666284,0.288354898336414,6,
5be0986dca626912469b14fe,1,0.20793225826536332,0.39206774173463665,9,
5be0986dca626912469b14ff,1,0.3078078078078078,0.3171921921921922,6,
5be0986dca626912469b1500,0,0.5361217969615961,0.24959248875268958,6,
5be0986dca626912469b1501,0,0.40475686902503516,0.07524313097496478,53,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b1502,0,0.27748619769588245,0.22251380230411755,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b1503,0,0.6227513227513227,0.16296296296296298,4,
5be0986dca626912469b1504,0,0.40478516280280624,0.28752252950488605,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b1505,0,0.28556268231718496,0.24777065101614837,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986dca626912469b1506,0,0.39098125170698317,0.20901874829301678,6,
5be0986eca626912469b1507,0,0.4189101615279506,0.2733975307797418,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1508,0,0.3954739326683505,0.24738321018879242,22,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1509,0,0.393325639529822,0.2733410271368446,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b150a,0,0.46320035455553865,0.2867996454444613,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b150b,0,0.2739950482964099,0.22600495170359003,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b150c,1,0.30684169085187846,0.34833072294122497,7,
5be0986eca626912469b150d,0,0.3274699880611445,0.1725300119388555,12,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b150e,0,0.1709639656906891,0.13338386039626743,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b150f,0,0.40475686902503516,0.07524313097496478,53,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1510,0,0.4442701517926623,0.29647058894807843,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1511,0,0.3486716679560542,0.2584711891868029,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1512,1,0.3147682757486529,0.33740563729482537,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1513,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be0986eca626912469b1514,0,0.28424935594520473,0.12751534993714825,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1515,0,0.6420300100118642,0.3579699899881358,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1516,0,0.392514075111411,0.044985924888589046,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1517,0,0.392514075111411,0.044985924888589046,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1518,0,0.45161290322580644,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1519,0,0.45161290322580644,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b151a,0,0.45161290322580644,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b151b,0,0.45161290322580644,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b151c,0,0.3558280634692595,0.18471247707128108,3,
5be0986eca626912469b151d,0,0.28417505246690555,0.1674378507589009,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b151e,0,0.28417505246690555,0.1674378507589009,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b151f,0,0.28417505246690555,0.1674378507589009,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1520,0,0.28417505246690555,0.1674378507589009,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1521,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be0986eca626912469b1522,0,0.5572362730569028,0.1324188993568903,5,
5be0986eca626912469b1523,0,0.6119585417337126,0.38804145826628744,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1524,0,0.2581949383342319,0.21055506166576807,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1525,0,0.7333333333333333,0.0,3,
5be0986eca626912469b1526,0,0.30199786900537084,0.23854267153516973,12,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1527,0,0.32089193176664055,0.2196486087739,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1528,0,0.31842264657952585,0.2482440200871408,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1529,0,0.4513052980342165,0.27596742923851075,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b152a,0,0.31946594285038354,0.18053405714961643,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b152b,1,0.09022556390977443,0.20977443609022556,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b152c,0,0.2646120104692787,0.1969264510691829,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b152d,0,0.34442475024170155,0.3107476635514019,6,
5be0986eca626912469b152e,0,0.4510846514322364,0.38224868190109695,5,
5be0986eca626912469b152f,0,0.4411764705882353,0.0,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1530,0,0.3325831237552128,0.05630576513367613,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1531,0,0.6060606060606061,0.0,2,
5be0986eca626912469b1532,0,0.38235294117647056,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1533,0,0.5007619047619047,0.2849523809523809,5,
5be0986eca626912469b1534,0,0.36047155432505107,0.21645152259802586,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1535,0,0.36872763229926314,0.21747926425246095,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1536,0,0.6060606060606061,0.0,2,
5be0986eca626912469b1537,0,0.4276345483308861,0.0580797373833996,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1538,0,0.4375,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b1539,0,0.4411764705882353,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b153a,0,0.45714285714285713,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b153b,0,0.24238820416710913,0.22189751011860517,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b153c,0,0.31163946307178975,0.22682207538974866,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b153d,0,0.4444444444444444,0.0,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986eca626912469b153e,0,0.35828503836477194,0.1774292473495137,3,
5be0986fca626912469b153f,0,0.2585261700040395,0.257602862254025,2,
5be0986fca626912469b1540,0,0.3245803727731439,0.0856760374832664,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1541,0,0.5263157894736842,0.0,2,
5be0986fca626912469b1542,0,0.4600179694519317,0.3018867924528302,2,
5be0986fca626912469b1543,0,0.1821136513708816,0.12823117621532532,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1544,0,0.4482758620689655,0.3642241379310345,3,
5be0986fca626912469b1545,1,0.2984014209591474,0.37901793387956223,2,
5be0986fca626912469b1546,0,0.29642801092094767,0.20357198907905238,9,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1547,0,0.5517241379310345,0.0,4,
5be0986fca626912469b1548,0,0.37075791855203627,0.18806561085972853,3,
5be0986fca626912469b1549,0,0.4,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b154a,0,0.5366608796296296,0.09296875000000002,6,
5be0986fca626912469b154b,0,0.3179610384298207,0.23376309950121377,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b154c,0,0.16974317817014445,0.08025682182985554,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b154d,0,0.31650371015514567,0.12794073428929878,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b154e,0,0.35124975470976044,0.264134860674855,17,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b154f,1,0.17002243048386723,0.302199791738355,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1550,1,0.3155487804878048,0.3609218077474893,4,
5be0986fca626912469b1551,0,0.4222557152261496,0.046494284773850494,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1552,0,0.4411764705882353,0.0,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1553,0,0.35592425004189704,0.055840455840455834,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1554,0,0.30223709756905887,0.22901290243094108,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1555,0,0.20203723035226837,0.09208041670655515,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1556,0,0.72,0.0,2,
5be0986fca626912469b1557,0,0.3832971898768875,0.25670281012311247,16,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1558,0,0.3002580382535076,0.25974196174649244,13,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1559,0,0.45723804957921194,0.2700346776935153,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b155a,0,0.39285714285714285,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b155b,0,0.3632205557908417,0.2367794442091583,15,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b155c,0,0.23907205265690826,0.1894993759145203,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b155d,1,0.22867535329846694,0.24958551626675052,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b155e,0,0.2511265219056322,0.09173062095151062,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b155f,1,0.13989019998060295,0.1401098000193971,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1560,0,0.2406018040208614,0.1879696245505671,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1561,1,0.2658518367081154,0.3147933245822072,12,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1562,0,0.21976108026145938,0.13159027108989202,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1563,0,0.5761532596263821,0.173846740373618,4,
5be0986fca626912469b1564,0,0.5978205519910379,0.17995722578674,4,
5be0986fca626912469b1565,1,0.0,0.7931034482758621,2,
5be0986fca626912469b1566,1,0.3889164086872393,0.6110835913127607,10,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1567,1,0.0,0.3103448275862069,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1568,1,0.0,0.7419354838709677,2,
5be0986fca626912469b1569,1,0.0,0.65625,2,
5be0986fca626912469b156a,1,0.0,0.7096774193548387,2,
5be0986fca626912469b156b,1,0.0,0.65625,2,
5be0986fca626912469b156c,1,0.1190439711965681,0.6050939598379146,3,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b156d,1,0.3889164086872393,0.6110835913127607,10,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b156e,1,0.42308336309620165,0.5769166369037984,9,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b156f,1,0.3819576898969174,0.40375659581736834,10,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1570,1,0.0,0.5714285714285714,3,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1571,1,0.0,0.6060606060606061,2,
5be0986fca626912469b1572,1,0.07591480671690658,0.4955137647116648,4,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1573,1,0.07591480671690658,0.4955137647116648,4,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1574,1,0.42308336309620165,0.5769166369037984,9,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be0986fca626912469b1575,1,0.0,0.7931034482758621,2,
5be0986fca626912469b1576,1,0.42308336309620165,0.5769166369037984,9,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1577,1,0.21786405016534735,0.418499586198289,6,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1578,1,0.42308336309620165,0.5769166369037984,9,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1579,1,0.0,0.7931034482758621,2,
5be09870ca626912469b157a,1,0.0,0.65625,2,
5be09870ca626912469b157b,1,0.2545152517001154,0.46962267933436735,7,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b157c,1,0.0,0.5357142857142857,2,
5be09870ca626912469b157d,1,0.08058326937835762,0.19214400334891507,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b157e,1,0.3041307390263351,0.35104167476676834,9,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b157f,0,0.26284961838309945,0.2093726038391228,9,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1580,1,0.26106202866120537,0.5453895842420204,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1581,1,0.0,0.65625,2,
5be09870ca626912469b1582,1,0.0,0.3684210526315789,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1583,1,0.0,0.7931034482758621,2,
5be09870ca626912469b1584,1,0.0,0.65625,2,
5be09870ca626912469b1585,1,0.0,0.65625,2,
5be09870ca626912469b1586,1,0.3126346196306351,0.3425377941624682,9,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1587,1,0.0,0.5806451612903226,2,
5be09870ca626912469b1588,1,0.0,0.7931034482758621,2,
5be09870ca626912469b1589,1,0.0,0.5454545454545454,2,
5be09870ca626912469b158a,1,0.2063849513981651,0.3936150486018349,6,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b158b,1,0.26106202866120537,0.5453895842420204,14,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b158c,1,0.07591480671690658,0.4955137647116648,4,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b158d,1,0.2490185116825092,0.39614277864007147,11,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b158e,1,0.42308336309620165,0.5769166369037984,9,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b158f,1,0.2500714365581245,0.31242856344187553,7,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1590,1,0.3819576898969174,0.40375659581736834,10,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1591,1,0.0,0.42857142857142855,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1592,1,0.35919898044968407,0.433904467826178,6,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1593,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09870ca626912469b1594,0,0.5161290322580645,0.0,2,
5be09870ca626912469b1595,1,0.16605264064301972,0.2185627439723649,10,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1596,0,0.20501847806025436,0.17959690655513025,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1597,0,0.23143198923416577,0.15745689965472315,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1598,0,0.2258705811002067,0.13524053001090441,8,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b1599,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09870ca626912469b159a,0,0.5652173913043478,0.0,3,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b159b,0,0.22847451767692595,0.0473875512885913,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b159c,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09870ca626912469b159d,0,0.2446167799203678,0.028110492806904946,28,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b159e,0,0.3868883393382813,0.047894269357370865,8,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b159f,0,0.35294117647058826,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b15a0,0,0.4444444444444444,0.0,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b15a1,0,0.20012147816749695,0.1042263479194596,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b15a2,0,0.3,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b15a3,1,0.09220004834058007,0.342582560355072,202,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b15a4,0,0.3325804063739723,0.08677443233570513,34,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b15a5,0,0.2164706657239685,0.11686266760936483,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b15a6,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09870ca626912469b15a7,0,0.22847451767692595,0.0473875512885913,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b15a8,1,0.16605264064301972,0.2185627439723649,10,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09870ca626912469b15a9,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09870ca626912469b15aa,0,0.3,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15ab,0,0.3414355991903345,0.08713582938109406,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15ac,0,0.26400646304488845,0.021707822669397227,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15ad,0,0.2164706657239685,0.11686266760936483,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15ae,0,0.20501847806025436,0.17959690655513025,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15af,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09871ca626912469b15b0,0,0.2849614971954748,0.059866089011421826,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15b1,1,0.04979253112033195,0.43505595372815287,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15b2,0,0.2956624439019729,0.18918604094651198,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15b3,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09871ca626912469b15b4,0,0.37037037037037035,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15b5,1,0.16605264064301972,0.2185627439723649,10,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15b6,1,0.16605264064301972,0.2185627439723649,10,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15b7,0,0.2956624439019729,0.18918604094651198,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15b8,0,0.20501847806025436,0.17959690655513025,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15b9,0,0.20996235474672145,0.16503764525327858,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15ba,1,0.15561935367881702,0.21938064632118298,10,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15bb,1,0.15561935367881702,0.21938064632118298,10,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15bc,1,0.16605264064301972,0.2185627439723649,10,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15bd,1,0.121453875584526,0.178546124415474,10,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15be,1,0.13436751238719005,0.1870610590413814,10,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15bf,1,0.121453875584526,0.178546124415474,10,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15c0,1,0.13436751238719005,0.1870610590413814,10,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15c1,0,0.2756359252561784,0.10531645569620254,11,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15c2,0,0.23238781506425973,0.1390407563643117,8,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15c3,0,0.2697481321688669,0.20084010312525077,11,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15c4,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09871ca626912469b15c5,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09871ca626912469b15c6,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09871ca626912469b15c7,0,0.5161290322580645,0.0,2,
5be09871ca626912469b15c8,0,0.25133022345846706,0.048669776541532914,17,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15c9,0,0.2222222222222222,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15ca,1,0.11189976099080175,0.22143357234253153,9,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15cb,0,0.2164706657239685,0.11686266760936483,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15cc,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09871ca626912469b15cd,0,0.2903225806451613,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15ce,0,0.17068965517241377,0.10431034482758621,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15cf,0,0.19889351056148236,0.07383376216579036,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15d0,1,0.11370864447097162,0.1188494950639121,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15d1,0,0.19051333846174523,0.07777934446508404,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15d2,1,0.07434944237918216,0.2197682046796414,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15d3,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09871ca626912469b15d4,0,0.20559716232340877,0.0324980757718293,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15d5,1,0.0,0.3888888888888889,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15d6,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09871ca626912469b15d7,0,0.23242768630512753,0.040299586422145164,20,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15d8,0,0.22847451767692595,0.0473875512885913,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09871ca626912469b15d9,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09871ca626912469b15da,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09871ca626912469b15db,0,0.1861101861101861,0.0703000703000703,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15dc,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09872ca626912469b15dd,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09872ca626912469b15de,1,0.04979253112033195,0.43505595372815287,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15df,0,0.2697481321688669,0.20084010312525077,11,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15e0,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09872ca626912469b15e1,0,0.5,0.0,2,
5be09872ca626912469b15e2,0,0.17579124542645133,0.08736664931039075,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15e3,0,0.2716908989497883,0.1568805296216402,8,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15e4,0,0.5,0.0,2,
5be09872ca626912469b15e5,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09872ca626912469b15e6,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09872ca626912469b15e7,1,0.15223687574988687,0.24062026710725598,9,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15e8,0,0.25,0.0,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15e9,0,0.3414355991903345,0.08713582938109406,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15ea,0,0.22528309084527148,0.1080502424880618,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15eb,0,0.22528309084527148,0.1080502424880618,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15ec,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09872ca626912469b15ed,0,0.20689655172413793,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15ee,0,0.3888888888888889,0.0,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15ef,0,0.42857142857142855,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15f0,0,0.3225806451612903,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15f1,0,0.32,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15f2,0,0.29411764705882354,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15f3,0,0.19008368427942438,0.09563060143486131,9,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15f4,0,0.17590836780146357,0.09075829886520309,9,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15f5,0,0.42857142857142855,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15f6,0,0.3225806451612903,0.0,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15f7,0,0.28125,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15f8,0,0.3448275862068966,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15f9,0,0.4,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15fa,0,0.17100780442813016,0.1623255289052032,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15fb,0,0.32,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15fc,0,0.294962786717139,0.09213398747640944,8,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15fd,0,0.23076923076923078,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15fe,1,0.16176876908943816,0.18033649406845656,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b15ff,0,0.24464432075527873,0.16914878269299713,11,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b1600,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09872ca626912469b1601,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09872ca626912469b1602,0,0.24453212463106472,0.13046787536893528,20,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b1603,0,0.22847451767692595,0.0473875512885913,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b1604,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09872ca626912469b1605,0,0.22847451767692595,0.0473875512885913,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b1606,0,0.2956624439019729,0.18918604094651198,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b1607,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09872ca626912469b1608,0,0.22847451767692595,0.0473875512885913,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b1609,0,0.19889351056148236,0.07383376216579036,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b160a,0,0.2164706657239685,0.11686266760936483,7,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b160b,0,0.35294117647058826,0.0,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b160c,0,0.1424698795180723,0.13253012048192772,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b160d,0,0.27973583066676294,0.14883559790466563,8,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b160e,0,0.2258705811002067,0.13524053001090441,8,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b160f,1,0.0,0.37142857142857144,4,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09872ca626912469b1610,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09873ca626912469b1611,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09873ca626912469b1612,0,0.42857142857142855,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1613,0,0.17100780442813016,0.1623255289052032,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1614,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09873ca626912469b1615,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09873ca626912469b1616,0,0.1280695686545778,0.11517367458866544,2,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1617,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09873ca626912469b1618,0,0.32142857142857145,0.0,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1619,0,0.16615744978424138,0.1005092168824253,13,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b161a,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09873ca626912469b161b,1,0.08423688778849711,0.2234554199038106,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b161c,0,0.45792605184870383,0.042073948151296225,10,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b161d,0,0.6349160536992448,0.07936966058646965,6,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b161e,0,0.4583333333333333,0.0,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b161f,0,0.8938775510204082,0.10612244897959185,4,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1620,0,0.7324151996138876,0.06758480038611257,9,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1621,0,0.8938775510204082,0.10612244897959185,4,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1622,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09873ca626912469b1623,0,0.21922215622964272,0.0400371030296165,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1624,0,0.5652173913043478,0.0,3,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1625,0,0.5248226950354609,0.14184397163120566,3,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1626,0,0.3115085497569233,0.16217566076939247,14,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1627,0,0.3715712228357753,0.03751968625513387,12,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1628,,,,,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Could not find similar substances with experimental data in the training dataset.
5be09873ca626912469b1629,0,0.398147868908281,0.030423559663147526,37,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b162a,0,0.23704601690285682,0.054620649763809904,20,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b162b,0,0.31464778340411287,0.13362807866485268,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b162c,0,0.31464778340411287,0.13362807866485268,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b162d,0,0.3020114004469779,0.1265600281244507,5,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b162e,0,0.23704601690285682,0.054620649763809904,20,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b162f,,,,1,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09873ca626912469b1630,,,,1,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.,Cannot create prediction: Only one similar compound in the training set.
5be09873ca626912469b1631,0,0.3529411764705882,0.14705882352941177,2,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1632,0,0.3578347578347578,0.10370370370370371,3,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1633,0,0.31315514013986895,0.13128930430457542,10,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1634,0,0.4280902140950444,0.0719097859049556,7,Cannot create prediction: Only one similar compound in the training set.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1635,0,0.12611924371622865,0.1238807562837713,8,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.
5be09873ca626912469b1636,0,0.21922215622964272,0.0400371030296165,6,Could not find similar substances with experimental data in the training dataset.,Lowering similarity threshold to 0.2.,Similarity threshold 0.2 < 0.5, prediction may be out of applicability domain.