diff options
Diffstat (limited to 'pyrrolizidine-alkaloids/tensorflow/pred.nn.v3-ext-Padel-2D.csv')
-rw-r--r-- | pyrrolizidine-alkaloids/tensorflow/pred.nn.v3-ext-Padel-2D.csv | 603 |
1 files changed, 603 insertions, 0 deletions
diff --git a/pyrrolizidine-alkaloids/tensorflow/pred.nn.v3-ext-Padel-2D.csv b/pyrrolizidine-alkaloids/tensorflow/pred.nn.v3-ext-Padel-2D.csv new file mode 100644 index 0000000..fb5c3fc --- /dev/null +++ b/pyrrolizidine-alkaloids/tensorflow/pred.nn.v3-ext-Padel-2D.csv @@ -0,0 +1,603 @@ +name,pred +9415,0.8653032 +5281743,0.64901 +73614,0.28978243 +119040,0.76484144 +280564,0.30374295 +5280906,0.6450194 +5281733,0.6450194 +5281734,0.65888536 +5281744,0.59058106 +5281756,0.64901 +5380876,0.5922672 +21606566,0.52131957 +613201,0.41081113 +5281750,0.5590145 +5355258,0.4176573 +9341,0.3990505 +10198,0.24654523 +577603,0.70104206 +99322,0.75158733 +185716,0.6693971 +442726,0.7174652 +5281753,0.3924421 +5281754,0.3924421 +6269253,0.5088041 +6440301,0.56235516 +6440889,0.707524 +6441178,0.73115844 +12308873,0.79301107 +15120074,0.6544205 +15736564,0.72669566 +76957522,0.6603037 +98222,0.3680768 +197173,0.8079092 +259727,0.7976457 +268949,0.7075485 +279070,0.5885453 +323256,0.42305917 +333106,0.39738268 +333468,0.37027815 +333469,0.21587917 +340066,0.30374295 +341142,0.36671147 +357033,0.51684964 +357034,0.51905453 +5281729,0.36065173 +5458800,0.4749301 +6438237,0.5590145 +6440654,0.35477272 +6604611,0.64901 +10569934,0.6788191 +21771304,0.3514053 +44284782,0.5300046 +44284870,0.37306502 +44374459,0.5393411 +44374601,0.3644814 +44559289,0.47257328 +71449185,0.44861445 +71449186,0.4173289 +71458133,0.43085638 +76313095,0.53203964 +76315880,0.47760814 +76330453,0.7511684 +76334042,0.393431 +59827875,0.5832853 +91554673,0.5832853 +31745,0.59058106 +33555,0.42035586 +43040,0.36013222 +72614,0.7732496 +107939,0.5922672 +119052,0.5963198 +119390,0.4749301 +148316,0.59912413 +148317,0.42606258 +148318,0.58150303 +148326,0.30427116 +153499,0.48465627 +156006,0.36887652 +156038,0.60926926 +156169,0.67757833 +156170,0.6312618 +156778,0.34854573 +157017,0.5813488 +158192,0.7258943 +162662,0.41537437 +165417,0.66078234 +165551,0.76258487 +167211,0.36206487 +169196,0.76956356 +169779,0.58840096 +179107,0.4885993 +180203,0.78855395 +180509,0.31969577 +181267,0.7776519 +181871,0.6187826 +181990,0.6379638 +182761,0.43175635 +186182,0.49058717 +186973,0.2506178 +186974,0.3403086 +186977,0.4767948 +186980,0.36069748 +187805,0.30143383 +188435,0.71927196 +189677,0.7566637 +190233,0.7830912 +213104,0.7075485 +427386,0.34902865 +427628,0.8183425 +427631,0.65384525 +427636,0.5746139 +428743,0.24875374 +442740,0.4065505 +442742,0.41081113 +494923,0.5088041 +522876,0.43562776 +610955,0.098895274 +636922,0.26908845 +638871,0.51036656 +638872,0.30416337 +3033169,0.2058542 +3038510,0.37485966 +3080172,0.37609664 +3085052,0.7710721 +3086069,0.5756098 +3360000,0.52567637 +5036864,0.65979517 +5134178,0.34174848 +5255771,0.7193428 +5281721,0.3016908 +5318830,0.30416337 +5319875,0.8653032 +5319976,0.3924421 +5320165,0.7214681 +5321160,0.60575527 +5368830,0.67259777 +5379437,0.80112743 +5566367,0.5590145 +5969895,0.59058106 +6104648,0.5922672 +6254547,0.65979517 +6351912,0.41081113 +6429351,0.40100813 +6429352,0.5697156 +6429354,0.48499545 +6429355,0.44567958 +6429356,0.1908663 +6431047,0.48683554 +6431048,0.4414703 +6433648,0.65888536 +6433995,0.6603037 +6437833,0.48648533 +6437851,0.75427383 +6440495,0.42042345 +6440559,0.61374176 +6440796,0.43562776 +6440923,0.7064843 +6441608,0.4628544 +6442429,0.4541769 +6442556,0.32052723 +6442559,0.80112743 +6442619,0.42588425 +6443105,0.43211827 +6556553,0.76484144 +6708770,0.6552611 +7082455,0.5590145 +7224673,0.65979517 +7457361,0.5036501 +9548770,0.40628833 +9975102,0.358236 +10023607,0.44677335 +10095536,0.42869848 +10251171,0.32442027 +10253491,0.47081214 +10412383,0.43061566 +10548599,0.7476891 +10569935,0.63211155 +10572157,0.6633393 +10577975,0.39942575 +10597940,0.7127159 +10639512,0.39575505 +10696910,0.15171176 +10710914,0.39575505 +10719345,0.1354937 +10759513,0.5640057 +10838897,0.37741762 +10938567,0.28076187 +10939203,0.5305203 +10991752,0.39142132 +10992912,0.702938 +10996028,0.3373053 +11008580,0.44540495 +11011039,0.50589687 +11014516,0.5871851 +11058357,0.6213862 +11068907,0.6331341 +11241297,0.45226556 +11436705,0.32451007 +11522514,0.3048085 +11594349,0.25563884 +11618501,0.20487264 +11811349,0.6213862 +11827237,0.42732143 +11827238,0.49547958 +12085704,0.30136773 +12085705,0.29215616 +12085706,0.45122275 +12299896,0.6450194 +12308839,0.36065173 +13195112,0.3016908 +13258912,0.42588425 +14313395,0.5088041 +14313398,0.30416337 +14589301,0.5644121 +14680172,0.6323947 +14825842,0.6621427 +14845641,0.6653291 +14845643,0.62463075 +15060933,0.60926926 +15060936,0.66183186 +15240755,0.37871724 +15286355,0.3425598 +15286357,0.20095213 +15286358,0.3675465 +15558714,0.77185917 +15559784,0.37485966 +15765644,0.48683554 +15765645,0.24471875 +15967910,0.7091123 +16687858,0.31245467 +20056157,0.8079092 +20056173,0.71843094 +20106090,0.3907043 +20839516,0.707524 +21124823,0.41189727 +21586628,0.34168607 +21586631,0.61374176 +21606568,0.82228297 +21671366,0.5874168 +21671448,0.48119146 +21762186,0.62806404 +21762187,0.72903883 +21762188,0.9670078 +21762361,0.5586113 +21762363,0.76615876 +23305243,0.7064843 +23305253,0.73115844 +23350898,0.40628833 +23968120,0.30202237 +26879145,0.24875374 +38364109,0.7808165 +44374956,0.44767436 +53462637,0.5813488 +56776345,0.83057797 +71358863,0.22489507 +71440312,0.33059424 +72701752,0.51791024 +72702799,0.41761643 +72702800,0.36741856 +73759932,0.39806685 +73893110,0.38798687 +73893120,0.39373308 +73893122,0.18222222 +73893125,0.47966212 +78358487,0.70149344 +91735634,0.4915778 +91746708,0.7258943 +91746994,0.7732512 +91746995,0.694805 +91746999,0.79301107 +91747008,0.3631819 +91747009,0.66452605 +91747010,0.76942974 +91747011,0.27281132 +91747348,0.38686043 +91747349,0.429161 +91747351,0.51123375 +91747352,0.5164093 +91747355,0.3793017 +91747358,0.43903178 +91747359,0.43903178 +91747605,0.16905983 +91747606,0.23255746 +91747608,0.11830096 +91747609,0.1974828 +91747611,0.1974828 +91748008,0.3557098 +91748009,0.47628984 +91748011,0.5640057 +91748012,0.39575505 +91749686,0.38860217 +91749687,0.7768984 +91749688,0.27913827 +91749690,0.18501852 +91749691,0.55067605 +91749692,0.7504066 +91751310,0.4560164 +91751311,0.48157263 +91751312,0.39897078 +91751313,0.38726798 +91751314,0.41736394 +91751316,0.37368554 +91751437,0.24471875 +91752775,0.7435175 +91752874,0.22911873 +91752876,0.3272162 +91752877,0.2985375 +91753270,0.7104074 +91753274,0.79357934 +91753673,0.4016753 +92167309,0.4168516 +92170778,0.4176573 +92240481,0.28978243 +92245581,0.30374295 +92245583,0.30374295 +92245889,0.8079092 +92245890,0.8079092 +92245891,0.8079092 +92245892,0.8079092 +92254804,0.4749301 +92258314,0.8183425 +92258315,0.8183425 +92258316,0.8183425 +92258317,0.8183425 +92258329,0.5746139 +94908779,0.5885453 +100854393,0.83057797 +100925967,0.6331341 +100979629,0.4546433 +100979630,0.20505586 +100979631,0.22560143 +101134822,0.66199815 +101244775,0.30111384 +101244776,0.448992 +101286187,0.37106037 +101288094,0.680686 +101289784,0.702038 +101339003,0.36065173 +101339004,0.41761643 +101339005,0.39978656 +101339006,0.42042345 +101360987,0.38227358 +101526911,0.70675033 +101602684,0.4463213 +101605596,0.4910094 +101609673,0.42042345 +101609674,0.44500604 +101613210,0.3153418 +101613211,0.5717927 +101616166,0.5833913 +101635998,0.7246675 +101648301,0.098895274 +101664189,0.5907836 +101674026,0.33236095 +101674027,0.46323752 +101696510,0.4491169 +101705400,0.29446548 +101705715,0.43562776 +101779180,0.40653506 +101915797,0.4745237 +101915798,0.4052828 +101915799,0.43061566 +101949642,0.7396201 +102004942,0.6709923 +102064908,0.4388918 +102090418,0.83148783 +102092537,0.63211155 +102115589,0.41351303 +102115628,0.3471133 +102122201,0.41136748 +102144111,0.5627874 +102207572,0.46884227 +102228697,0.36741856 +102228698,0.41761643 +102228699,0.51791024 +102445396,0.71787345 +102478913,0.45137224 +102588230,0.43149525 +118701696,0.60926926 +5380224,0.37563762 +442706,0.33439112 +32319,0.33609536 +158633,0.36215815 +190040,0.2977846 +5352405,0.3391099 +11723103,0.41441852 +91747534,0.2751581 +91747615,0.20507471 +101044824,0.3680809 +101044825,0.4506162 +5281720,0.6535921 +5459074,0.53997993 +5281752,0.8268542 +5284440,0.86583626 +5281740,0.8089307 +6441254,0.8837975 +22310115,0.8541619 +12041879,0.7792713 +44559774,0.88622266 +59827871,0.85979843 +119243,0.86583626 +526538,0.8735409 +3713463,0.82736576 +4095226,0.8032358 +5281726,0.8704349 +5284370,0.86112416 +6324941,0.86112416 +6428023,0.8735409 +6440206,0.862759 +6440207,0.8735409 +6440919,0.8738451 +6440920,0.8735409 +6440921,0.862759 +6441405,0.8541619 +6442432,0.85888946 +10880125,0.8595656 +11111309,0.633638 +12304138,0.8773802 +14313730,0.8127755 +21606532,0.86714256 +21627985,0.8541619 +89233061,0.7178712 +91746989,0.862759 +91747000,0.82468015 +91747001,0.8541619 +91753267,0.9258238 +91753269,0.79049 +91753273,0.8268542 +91753275,0.7901561 +100925969,0.8048447 +101057317,0.86714256 +101096098,0.86112416 +101297578,0.8583884 +101360988,0.8735409 +101543954,0.9013446 +102059844,0.82736576 +102496937,0.8445808 +102502161,0.70199794 +104764,0.79186726 +5281742,0.6299062 +5281746,0.3883216 +5281748,0.52265793 +6440870,0.6173956 +6441180,0.65722543 +168571,0.8264993 +355833,0.50885373 +5799962,0.46415663 +38350,0.38717288 +148320,0.61473095 +148321,0.45424008 +148322,0.26846874 +151347,0.2702524 +151555,0.20046246 +156034,0.6960515 +162396,0.39974695 +178760,0.6055643 +188434,0.5278608 +194088,0.31539318 +232738,0.46415663 +382065,0.3883216 +419279,0.5981822 +442746,0.5293063 +442749,0.57299 +496831,0.55105776 +526539,0.5278608 +4484072,0.52265793 +4484073,0.43704242 +5232043,0.7310313 +5281722,0.595516 +5281745,0.65599495 +5281749,0.43704242 +5320938,0.7857973 +5321137,0.3883216 +5352420,0.3883216 +5916866,0.65599495 +6124067,0.52265793 +6428018,0.35287887 +6428020,0.23604433 +6428026,0.23604433 +6428030,0.3883216 +6429060,0.49894223 +6429061,0.35005337 +6429062,0.49894223 +6429063,0.35005337 +6440039,0.3782483 +6441496,0.6332331 +6442293,0.7120339 +6442685,0.52213067 +6442687,0.52213067 +6445133,0.4752356 +6912281,0.6299062 +10086314,0.5034707 +10344513,0.5346509 +10433214,0.43186203 +10497165,0.5278608 +10502318,0.60133994 +10572291,0.47545663 +10717096,0.6823536 +10738499,0.5754747 +10739462,0.69352996 +10787656,0.63120705 +11233017,0.58561593 +11303112,0.37097234 +11369281,0.43011007 +14287858,0.6531001 +14589311,0.35173792 +14589313,0.33133307 +14659818,0.46415663 +16082455,0.5449868 +21144858,0.09214411 +21581303,0.8644546 +21626760,0.2284495 +21670206,0.41997933 +22524559,0.595516 +23305279,0.7120339 +44148183,0.52213067 +46861355,0.59327614 +51413602,0.85172474 +52340564,0.87581813 +52340565,0.59327614 +68380175,0.6407963 +74934296,0.52213067 +91746536,0.48262224 +91746606,0.6728601 +91747012,0.57299 +91747610,0.1776233 +91747612,0.1776233 +91747938,0.15968318 +91747943,0.36842027 +91749424,0.23500562 +91749426,0.46189505 +91749427,0.5691843 +91749428,0.21820602 +91749429,0.5553371 +91749431,0.5457787 +91749432,0.4500135 +91749433,0.41320038 +91749434,0.46494794 +91749435,0.16201046 +91749436,0.4313135 +91749439,0.6002224 +91749440,0.43773943 +91749448,0.21820602 +91749449,0.53419894 +91749454,0.27495834 +91749889,0.4522643 +91749890,0.41783065 +91753677,0.4741242 +91991897,0.5131455 +92019195,0.47240743 +92233018,0.46415663 +92246526,0.5981822 +92263445,0.46415663 +92263446,0.65599495 +93504569,0.30369607 +98567771,0.46415663 +100916220,0.5754747 +100976533,0.5278608 +101297661,0.741337 +101324857,0.5147227 +101360989,0.57921314 +101526912,0.6316784 +101689715,0.5629904 +101793685,0.6128109 +101992452,0.7806022 +102207684,0.41320038 +102207687,0.43773943 +102372765,0.5178318 +102372767,0.4687183 +102442056,0.736998 +102442057,0.70731485 +102588231,0.39305815 +102596225,0.37643823 +102596226,0.14721794 +6440436,0.28895712 +656392,0.36260396 +10806120,0.37516913 +10523,0.28914332 +26477,0.22337663 +155104,0.32552898 +155153,0.22337663 +169554,0.41612953 +4483893,0.3155675 +5315247,0.20985225 +10685701,0.272436 +13967757,0.05214129 +46930232,0.18815318 +51693704,0.4776098 +67189194,0.050345242 +91747354,0.3269915 +91747604,0.27689132 +91747607,0.27689132 +91749893,0.2999593 +91749894,0.3269915 +91749895,0.13302267 +91749896,0.22349963 +91749897,0.2805121 +91749898,0.27246195 +91749899,0.33980328 +101324794,0.029438043 +101360427,0.20605724 +118701599,0.3155675 |