diff options
Diffstat (limited to 'pyrrolizidine-alkaloids/tensorflow/pred.lr.v5-ext-Padel-2D.csv')
-rw-r--r-- | pyrrolizidine-alkaloids/tensorflow/pred.lr.v5-ext-Padel-2D.csv | 603 |
1 files changed, 603 insertions, 0 deletions
diff --git a/pyrrolizidine-alkaloids/tensorflow/pred.lr.v5-ext-Padel-2D.csv b/pyrrolizidine-alkaloids/tensorflow/pred.lr.v5-ext-Padel-2D.csv new file mode 100644 index 0000000..02764dd --- /dev/null +++ b/pyrrolizidine-alkaloids/tensorflow/pred.lr.v5-ext-Padel-2D.csv @@ -0,0 +1,603 @@ +name,pred +9415,0.11910174 +5281743,0.5428229 +73614,0.08023748 +119040,0.08798367 +280564,0.05149275 +5280906,0.53281146 +5281733,0.53281146 +5281734,0.40394273 +5281744,0.5019987 +5281756,0.5428229 +5380876,0.47020012 +21606566,0.2122074 +613201,0.1353201 +5281750,0.45014104 +5355258,0.091728516 +9341,0.131633 +10198,0.33329225 +577603,0.784705 +99322,0.15693574 +185716,0.44411272 +442726,0.14602365 +5281753,0.13670133 +5281754,0.13670133 +6269253,0.19198179 +6440301,0.3308249 +6440889,0.56758785 +6441178,0.3326436 +12308873,0.9180864 +15120074,0.54284054 +15736564,0.6814232 +76957522,0.35199994 +98222,0.14371845 +197173,0.077455215 +259727,0.13362749 +268949,0.104715206 +279070,0.7211254 +323256,0.07223026 +333106,0.048408024 +333468,0.17051247 +333469,0.16616976 +340066,0.05149275 +341142,0.14839289 +357033,0.033062484 +357034,0.045367643 +5281729,0.119294584 +5458800,0.06197723 +6438237,0.45014104 +6440654,0.13141505 +6604611,0.5428229 +10569934,0.3171292 +21771304,0.06177361 +44284782,0.026251718 +44284870,0.08481419 +44374459,0.13586822 +44374601,0.12549007 +44559289,0.14186814 +71449185,0.059276573 +71449186,0.0483594 +71458133,0.028572148 +76313095,0.07887278 +76315880,0.21347108 +76330453,0.69012386 +76334042,0.06098024 +59827875,0.3608132 +91554673,0.3608132 +31745,0.5019987 +33555,0.0652038 +43040,0.25965446 +72614,0.7341309 +107939,0.47020012 +119052,0.7610849 +119390,0.06197723 +148316,0.1070482 +148317,0.09535327 +148318,0.1935195 +148326,0.108279645 +153499,0.30839428 +156006,0.09863583 +156038,0.06630542 +156169,0.38709733 +156170,0.134734 +156778,0.09212154 +157017,0.08226757 +158192,0.803846 +162662,0.7411616 +165417,0.30874652 +165551,0.064944714 +167211,0.2672241 +169196,0.050091647 +169779,0.19160822 +179107,0.29922822 +180203,0.11750863 +180509,0.084863186 +181267,0.706705 +181871,0.4118 +181990,0.39229682 +182761,0.16066337 +186182,0.36471015 +186973,0.35431787 +186974,0.3088238 +186977,0.12892537 +186980,0.107870385 +187805,0.053191483 +188435,0.31402507 +189677,0.11023277 +190233,0.10890607 +213104,0.104715206 +427386,0.1013817 +427628,0.05101061 +427631,0.04695409 +427636,0.11384939 +428743,0.03775886 +442740,0.08811293 +442742,0.1353201 +494923,0.19198179 +522876,0.367742 +610955,0.009719709 +636922,0.14305024 +638871,0.17991902 +638872,0.35455948 +3033169,0.13525328 +3038510,0.17379855 +3080172,0.040825248 +3085052,0.055375077 +3086069,0.045245994 +3360000,0.35165513 +5036864,0.59296495 +5134178,0.1249882 +5255771,0.098202065 +5281721,0.30562726 +5318830,0.35455948 +5319875,0.11910174 +5319976,0.13670133 +5320165,0.5553981 +5321160,0.3147854 +5368830,0.3628567 +5379437,0.3493659 +5566367,0.45014104 +5969895,0.5019987 +6104648,0.47020012 +6254547,0.59296495 +6351912,0.1353201 +6429351,0.5281099 +6429352,0.26567763 +6429354,0.19343847 +6429355,0.3025396 +6429356,0.30002508 +6431047,0.13266852 +6431048,0.19728772 +6433648,0.40394273 +6433995,0.35199994 +6437833,0.2959772 +6437851,0.32049352 +6440495,0.08266406 +6440559,0.19907601 +6440796,0.367742 +6440923,0.8751526 +6441608,0.18613479 +6442429,0.16942255 +6442556,0.19107257 +6442559,0.3493659 +6442619,0.36493984 +6443105,0.41746467 +6556553,0.08798367 +6708770,0.62293565 +7082455,0.45014104 +7224673,0.59296495 +7457361,0.07649388 +9548770,0.55545884 +9975102,0.23109731 +10023607,0.10046446 +10095536,0.045503847 +10251171,0.043183684 +10253491,0.06113415 +10412383,0.048692502 +10548599,0.3640792 +10569935,0.28011623 +10572157,0.15698612 +10577975,0.24445736 +10597940,0.14091451 +10639512,0.35226116 +10696910,0.078529075 +10710914,0.35226116 +10719345,0.076946996 +10759513,0.3869092 +10838897,0.2522498 +10938567,0.064872056 +10939203,0.043270584 +10991752,0.12281145 +10992912,0.43002486 +10996028,0.025149614 +11008580,0.36920172 +11011039,0.096521065 +11014516,0.186341 +11058357,0.47113484 +11068907,0.5408304 +11241297,0.15090705 +11436705,0.20592694 +11522514,0.07462743 +11594349,0.1107391 +11618501,0.043249875 +11811349,0.47113484 +11827237,0.07103957 +11827238,0.10607833 +12085704,0.045422018 +12085705,0.09704618 +12085706,0.060221456 +12299896,0.53281146 +12308839,0.119294584 +13195112,0.30562726 +13258912,0.36493984 +14313395,0.19198179 +14313398,0.35455948 +14589301,0.22864087 +14680172,0.067925826 +14825842,0.61180437 +14845641,0.0788388 +14845643,0.057323076 +15060933,0.06630542 +15060936,0.094901845 +15240755,0.10534823 +15286355,0.13981284 +15286357,0.2393434 +15286358,0.16062024 +15558714,0.17882586 +15559784,0.17379855 +15765644,0.13266852 +15765645,0.27048215 +15967910,0.22870748 +16687858,0.0009361919 +20056157,0.077455215 +20056173,0.50707966 +20106090,0.060075007 +20839516,0.56758785 +21124823,0.029653737 +21586628,0.13409469 +21586631,0.19907601 +21606568,0.23198323 +21671366,0.3564638 +21671448,0.24597235 +21762186,0.22651038 +21762187,0.41582322 +21762188,0.029537579 +21762361,0.10850791 +21762363,0.094088025 +23305243,0.8751526 +23305253,0.3326436 +23350898,0.55545884 +23968120,0.044076826 +26879145,0.03775886 +38364109,0.07616229 +44374956,0.10905397 +53462637,0.08226757 +56776345,0.11387484 +71358863,0.12648275 +71440312,0.13008173 +72701752,0.06542664 +72702799,0.06471391 +72702800,0.037362624 +73759932,0.37627503 +73893110,0.43897313 +73893120,0.46940613 +73893122,0.16650423 +73893125,0.2440526 +78358487,0.38796455 +91735634,0.47692633 +91746708,0.803846 +91746994,0.96232927 +91746995,0.7689105 +91746999,0.9180864 +91747008,0.16825378 +91747009,0.69436127 +91747010,0.1511809 +91747011,0.15752815 +91747348,0.06848757 +91747349,0.45066443 +91747351,0.06076339 +91747352,0.06607539 +91747355,0.08391716 +91747358,0.2672305 +91747359,0.2672305 +91747605,0.019606262 +91747606,0.028913314 +91747608,0.027641889 +91747609,0.042714678 +91747611,0.042714678 +91748008,0.14742975 +91748009,0.18799004 +91748011,0.3869092 +91748012,0.35226116 +91749686,0.24416196 +91749687,0.6639272 +91749688,0.24503979 +91749690,0.1704881 +91749691,0.3865011 +91749692,0.06415746 +91751310,0.13470466 +91751311,0.14066538 +91751312,0.097004816 +91751313,0.09371115 +91751314,0.058999814 +91751316,0.08096168 +91751437,0.27048215 +91752775,0.8928383 +91752874,0.15560018 +91752876,0.2982089 +91752877,0.2244558 +91753270,0.13935341 +91753274,0.42462602 +91753673,0.37969962 +92167309,0.13157718 +92170778,0.091728516 +92240481,0.08023748 +92245581,0.05149275 +92245583,0.05149275 +92245889,0.077455215 +92245890,0.077455215 +92245891,0.077455215 +92245892,0.077455215 +92254804,0.06197723 +92258314,0.05101061 +92258315,0.05101061 +92258316,0.05101061 +92258317,0.05101061 +92258329,0.11384939 +94908779,0.7211254 +100854393,0.11387484 +100925967,0.5408304 +100979629,0.25528866 +100979630,0.055427957 +100979631,0.08890571 +101134822,0.4254028 +101244775,0.12139279 +101244776,0.13704382 +101286187,0.3044501 +101288094,0.4180387 +101289784,0.5642702 +101339003,0.119294584 +101339004,0.06471391 +101339005,0.04140788 +101339006,0.08266406 +101360987,0.06306625 +101526911,0.6273816 +101602684,0.071664095 +101605596,0.11579056 +101609673,0.08266406 +101609674,0.10194997 +101613210,0.0783499 +101613211,0.042039767 +101616166,0.051511426 +101635998,0.27428895 +101648301,0.009719709 +101664189,0.058175277 +101674026,0.07817407 +101674027,0.07697199 +101696510,0.097100414 +101705400,0.3912448 +101705715,0.367742 +101779180,0.23301785 +101915797,0.08015535 +101915798,0.07579479 +101915799,0.048692502 +101949642,0.56779516 +102004942,0.27946478 +102064908,0.07469861 +102090418,0.21554208 +102092537,0.28011623 +102115589,0.17914808 +102115628,0.2059228 +102122201,0.05700044 +102144111,0.4270115 +102207572,0.09812228 +102228697,0.037362624 +102228698,0.06471391 +102228699,0.06542664 +102445396,0.7750083 +102478913,0.2513376 +102588230,0.3710268 +118701696,0.06630542 +5380224,0.09850371 +442706,0.05556666 +32319,0.046605915 +158633,0.059137456 +190040,0.063313656 +5352405,0.5009752 +11723103,0.07863866 +91747534,0.45712963 +91747615,0.015183309 +101044824,0.09665235 +101044825,0.06978253 +5281720,0.5873779 +5459074,0.2069427 +5281752,0.641246 +5284440,0.8971866 +5281740,0.4974057 +6441254,0.8648373 +22310115,0.5773293 +12041879,0.7853724 +44559774,0.777448 +59827871,0.862675 +119243,0.8971866 +526538,0.6786461 +3713463,0.595608 +4095226,0.37709403 +5281726,0.87655866 +5284370,0.60400975 +6324941,0.60400975 +6428023,0.6786461 +6440206,0.90767384 +6440207,0.6786461 +6440919,0.6643003 +6440920,0.6786461 +6440921,0.90767384 +6441405,0.5773293 +6442432,0.85754347 +10880125,0.66576797 +11111309,0.341428 +12304138,0.18069682 +14313730,0.5645453 +21606532,0.6478356 +21627985,0.5773293 +89233061,0.7292897 +91746989,0.90767384 +91747000,0.4610322 +91747001,0.5773293 +91753267,0.33364385 +91753269,0.4579618 +91753273,0.641246 +91753275,0.24413562 +100925969,0.6274611 +101057317,0.6478356 +101096098,0.60400975 +101297578,0.6216126 +101360988,0.6786461 +101543954,0.63366807 +102059844,0.595608 +102496937,0.5830475 +102502161,0.78903097 +104764,0.10968236 +5281742,0.4041663 +5281746,0.29520673 +5281748,0.63711435 +6440870,0.4893791 +6441180,0.5936307 +168571,0.34155908 +355833,0.03700649 +5799962,0.18704322 +38350,0.31753367 +148320,0.09585506 +148321,0.04553021 +148322,0.19115141 +151347,0.054883767 +151555,0.31121963 +156034,0.08361353 +162396,0.6363258 +178760,0.29696465 +188434,0.14789034 +194088,0.32033932 +232738,0.18704322 +382065,0.29520673 +419279,0.034280922 +442746,0.25859398 +442749,0.07601754 +496831,0.21235523 +526539,0.14789034 +4484072,0.63711435 +4484073,0.39553052 +5232043,0.3512445 +5281722,0.4213469 +5281745,0.46085644 +5281749,0.39553052 +5320938,0.099056266 +5321137,0.29520673 +5352420,0.29520673 +5916866,0.46085644 +6124067,0.63711435 +6428018,0.31905442 +6428020,0.19820035 +6428026,0.19820035 +6428030,0.29520673 +6429060,0.29949048 +6429061,0.2157994 +6429062,0.29949048 +6429063,0.2157994 +6440039,0.11488376 +6441496,0.45493707 +6442293,0.6244275 +6442685,0.33879414 +6442687,0.33879414 +6445133,0.092060655 +6912281,0.4041663 +10086314,0.25335196 +10344513,0.08669974 +10433214,0.27704173 +10497165,0.14789034 +10502318,0.39747977 +10572291,0.07192619 +10717096,0.2579991 +10738499,0.114506625 +10739462,0.08642404 +10787656,0.19553217 +11233017,0.12361278 +11303112,0.036689773 +11369281,0.1380146 +14287858,0.45113248 +14589311,0.022489052 +14589313,0.08655039 +14659818,0.18704322 +16082455,0.22097847 +21144858,0.7003374 +21581303,0.007888294 +21626760,0.1806574 +21670206,0.11951194 +22524559,0.4213469 +23305279,0.6244275 +44148183,0.33879414 +46861355,0.30375466 +51413602,0.058068383 +52340564,0.02027458 +52340565,0.30375466 +68380175,0.3467819 +74934296,0.33879414 +91746536,0.35999 +91746606,0.24040143 +91747012,0.07601754 +91747610,0.035430595 +91747612,0.035430595 +91747938,0.1638566 +91747943,0.28927097 +91749424,0.04334706 +91749426,0.05737245 +91749427,0.050400604 +91749428,0.039816942 +91749429,0.043197267 +91749431,0.09994984 +91749432,0.05785538 +91749433,0.12847364 +91749434,0.12392555 +91749435,0.097250246 +91749436,0.0851384 +91749439,0.107075356 +91749440,0.1929703 +91749448,0.039816942 +91749449,0.12233074 +91749454,0.09808989 +91749889,0.16573331 +91749890,0.19067757 +91753677,0.1694658 +91991897,0.24262147 +92019195,0.19073838 +92233018,0.18704322 +92246526,0.034280922 +92263445,0.18704322 +92263446,0.46085644 +93504569,0.36354434 +98567771,0.18704322 +100916220,0.114506625 +100976533,0.14789034 +101297661,0.081286624 +101324857,0.39588332 +101360989,0.34578475 +101526912,0.6190332 +101689715,0.35894257 +101793685,0.08301343 +101992452,0.06321246 +102207684,0.12847364 +102207687,0.1929703 +102372765,0.22510926 +102372767,0.11203003 +102442056,0.058425367 +102442057,0.13339086 +102588231,0.035265017 +102596225,0.16928338 +102596226,0.03285833 +6440436,0.13446942 +656392,0.08862666 +10806120,0.087948136 +10523,0.023943938 +26477,0.027384615 +155104,0.035630174 +155153,0.027384615 +169554,0.10434737 +4483893,0.13073021 +5315247,0.026668642 +10685701,0.023265313 +13967757,0.3160028 +46930232,0.08877631 +51693704,0.07769247 +67189194,0.12455173 +91747354,0.18505642 +91747604,0.054363538 +91747607,0.054363538 +91749893,0.21216412 +91749894,0.18505642 +91749895,0.0736673 +91749896,0.07903083 +91749897,0.18767233 +91749898,0.1512793 +91749899,0.23219469 +101324794,0.124302864 +101360427,0.47110286 +118701599,0.13073021 |