diff options
Diffstat (limited to 'pyrrolizidine-alkaloids/tensorflow/pred.rf.v3-ext-Padel-2D.csv')
-rw-r--r-- | pyrrolizidine-alkaloids/tensorflow/pred.rf.v3-ext-Padel-2D.csv | 603 |
1 files changed, 603 insertions, 0 deletions
diff --git a/pyrrolizidine-alkaloids/tensorflow/pred.rf.v3-ext-Padel-2D.csv b/pyrrolizidine-alkaloids/tensorflow/pred.rf.v3-ext-Padel-2D.csv new file mode 100644 index 0000000..0eec98e --- /dev/null +++ b/pyrrolizidine-alkaloids/tensorflow/pred.rf.v3-ext-Padel-2D.csv @@ -0,0 +1,603 @@ +name,pred +9415,0.6545269100172851 +5281743,0.6965030324209732 +73614,0.31267142810329596 +119040,0.5581992211384301 +280564,0.38126982310537993 +5280906,0.5370899950394938 +5281733,0.5370899950394938 +5281734,0.5965623130067143 +5281744,0.7167453304321504 +5281756,0.6965030324209732 +5380876,0.5924000852014762 +21606566,0.439166546116645 +613201,0.5892638468274546 +5281750,0.5698394557465067 +5355258,0.40079605863611506 +9341,0.36619785715161773 +10198,0.34235171002034315 +577603,0.5948951543586528 +99322,0.5768958095616986 +185716,0.4832536589673805 +442726,0.49053682453674335 +5281753,0.4795189658255224 +5281754,0.4795189658255224 +6269253,0.5192799512220676 +6440301,0.5984852169359185 +6440889,0.6376012759083995 +6441178,0.5859352320780024 +12308873,0.6074174935861217 +15120074,0.49227906705073926 +15736564,0.572358213733437 +76957522,0.6098187608447573 +98222,0.4482381349105222 +197173,0.5926618490664389 +259727,0.49674310351503564 +268949,0.4462853924632466 +279070,0.5597073753426061 +323256,0.45926003291615086 +333106,0.3644503427174357 +333468,0.387173171326261 +333469,0.3458459885766384 +340066,0.38126982310537993 +341142,0.47556056808060415 +357033,0.32843894107815924 +357034,0.305631302917071 +5281729,0.5231491916300832 +5458800,0.5447882492262405 +6438237,0.5698394557465067 +6440654,0.47679701304176336 +6604611,0.6965030324209732 +10569934,0.4965617070853517 +21771304,0.36309567549422733 +44284782,0.3714240067039929 +44284870,0.38825639788366323 +44374459,0.41238549406301406 +44374601,0.43336216623690565 +44559289,0.4611439108646319 +71449185,0.37140830002632175 +71449186,0.3801625659808059 +71458133,0.3764077831690077 +76313095,0.508580886982398 +76315880,0.39096000282430293 +76330453,0.5544876898398493 +76334042,0.5131653087695349 +59827875,0.48234764904413213 +91554673,0.48234764904413213 +31745,0.7167453304321504 +33555,0.42079653919524657 +43040,0.2367649508998822 +72614,0.5707311267807681 +107939,0.5924000852014762 +119052,0.6042727785176416 +119390,0.5447882492262405 +148316,0.3725560931435736 +148317,0.39230509349133574 +148318,0.483498024330649 +148326,0.34496341125535185 +153499,0.43586355737456556 +156006,0.39346506072676746 +156038,0.5110078928934488 +156169,0.4628350598505927 +156170,0.4686664734952039 +156778,0.4353053639372086 +157017,0.5395042459785093 +158192,0.5798822212976154 +162662,0.4282426675376998 +165417,0.5712083245776246 +165551,0.5437069657758861 +167211,0.29219485487494506 +169196,0.5118672586487218 +169779,0.5962614199170269 +179107,0.4468656932851819 +180203,0.5558795945174299 +180509,0.41901946426798364 +181267,0.5918167795923142 +181871,0.4686088054971458 +181990,0.5591905156243165 +182761,0.442077705808347 +186182,0.35034921199092495 +186973,0.3357576659113006 +186974,0.3644554057087239 +186977,0.4773962060855691 +186980,0.3412448139741622 +187805,0.3568291608253076 +188435,0.4374518255449244 +189677,0.5501802045498132 +190233,0.5318132977337079 +213104,0.4462853924632466 +427386,0.3695787615474741 +427628,0.5778415418650377 +427631,0.5428418550352658 +427636,0.4092039351353655 +428743,0.3579838043202939 +442740,0.37684396436704004 +442742,0.5892638468274546 +494923,0.5192799512220676 +522876,0.41169752017819344 +610955,0.349195508643037 +636922,0.3589306352513861 +638871,0.46286228429353904 +638872,0.34566345971632756 +3033169,0.3424275089804044 +3038510,0.408388179540043 +3080172,0.3708122903734092 +3085052,0.5761557050612395 +3086069,0.5398561755938471 +3360000,0.40640437276929575 +5036864,0.5557190447228401 +5134178,0.3647173119639293 +5255771,0.5580576803871956 +5281721,0.3099091301286164 +5318830,0.34566345971632756 +5319875,0.6545269100172851 +5319976,0.4795189658255224 +5320165,0.5397171367206618 +5321160,0.5686190158625318 +5368830,0.424068320258519 +5379437,0.47603604702376673 +5566367,0.5698394557465067 +5969895,0.7167453304321504 +6104648,0.5924000852014762 +6254547,0.5557190447228401 +6351912,0.5892638468274546 +6429351,0.42670071162924067 +6429352,0.44344362581285 +6429354,0.3740440294886197 +6429355,0.30570956844095265 +6429356,0.3842255905897865 +6431047,0.502336429618973 +6431048,0.4415847380880425 +6433648,0.5965623130067143 +6433995,0.6098187608447573 +6437833,0.4136976393548728 +6437851,0.6396840600738497 +6440495,0.49996049898458306 +6440559,0.504224227706606 +6440796,0.41169752017819344 +6440923,0.6179589052548252 +6441608,0.37855888873606364 +6442429,0.3962713891520297 +6442556,0.4038367798186413 +6442559,0.47603604702376673 +6442619,0.5826760466330559 +6443105,0.35357463280847956 +6556553,0.5581992211384301 +6708770,0.5479217382860134 +7082455,0.5698394557465067 +7224673,0.5557190447228401 +7457361,0.40385129993413266 +9548770,0.3854166613869798 +9975102,0.5192180471511862 +10023607,0.47234702343426216 +10095536,0.4115938103721414 +10251171,0.40952993383551956 +10253491,0.48803574280170126 +10412383,0.49162486946785594 +10548599,0.4599622438148108 +10569935,0.5150641876529944 +10572157,0.45259424934120185 +10577975,0.40622492065940363 +10597940,0.4816409394465555 +10639512,0.33581335146627284 +10696910,0.3956670196302861 +10710914,0.33581335146627284 +10719345,0.38802569809696796 +10759513,0.4913839598827824 +10838897,0.4056429163907897 +10938567,0.3892924277394974 +10939203,0.3669684149623155 +10991752,0.3890270866499633 +10992912,0.434792272507739 +10996028,0.41963703998939356 +11008580,0.40067654882172743 +11011039,0.4063237393208442 +11014516,0.3923745000493929 +11058357,0.4528934342199173 +11068907,0.40677144385619046 +11241297,0.3591782412034094 +11436705,0.336815546292344 +11522514,0.32052873372063023 +11594349,0.440707914884744 +11618501,0.3051111701642713 +11811349,0.4528934342199173 +11827237,0.3337137619840875 +11827238,0.3350772584447317 +12085704,0.42866320266812225 +12085705,0.423782135265531 +12085706,0.45415706845469084 +12299896,0.5370899950394938 +12308839,0.5231491916300832 +13195112,0.3099091301286164 +13258912,0.5826760466330559 +14313395,0.5192799512220676 +14313398,0.34566345971632756 +14589301,0.40994267132544604 +14680172,0.5484124878681526 +14825842,0.5968032566444731 +14845641,0.5168869971959544 +14845643,0.5127826515138604 +15060933,0.5110078928934488 +15060936,0.4922578656449317 +15240755,0.3846250037567282 +15286355,0.47494809445429914 +15286357,0.35152939574318653 +15286358,0.4442309572782244 +15558714,0.5063349243119153 +15559784,0.408388179540043 +15765644,0.502336429618973 +15765645,0.37523094916843286 +15967910,0.6025520065747219 +16687858,0.4143263254151026 +20056157,0.5926618490664389 +20056173,0.4733278568072858 +20106090,0.3765836575107876 +20839516,0.6376012759083995 +21124823,0.43231099437107745 +21586628,0.38239439028159367 +21586631,0.504224227706606 +21606568,0.46115520632154466 +21671366,0.40805408266442916 +21671448,0.42255315311754893 +21762186,0.4435320290307457 +21762187,0.49129869487923655 +21762188,0.39920625077612 +21762361,0.4038731636678139 +21762363,0.4031704283110052 +23305243,0.6179589052548252 +23305253,0.5859352320780024 +23350898,0.3854166613869798 +23968120,0.3370170280601298 +26879145,0.3579838043202939 +38364109,0.5961327313653817 +44374956,0.4156266053458142 +53462637,0.5395042459785093 +56776345,0.6402898373193235 +71358863,0.3887419409725404 +71440312,0.3547484682269155 +72701752,0.4385287313355594 +72702799,0.41457404408209836 +72702800,0.43480272162226535 +73759932,0.3600715449691098 +73893110,0.401675627230189 +73893120,0.39400335719619506 +73893122,0.18015905737197438 +73893125,0.42804781786390866 +78358487,0.6097219001714042 +91735634,0.3825447792800243 +91746708,0.5798822212976154 +91746994,0.5403233769009578 +91746995,0.5383686195283549 +91746999,0.6074174935861217 +91747008,0.3488718828280905 +91747009,0.5773643246852804 +91747010,0.5591423573793983 +91747011,0.36016385029561904 +91747348,0.3902652024094972 +91747349,0.36981598140098926 +91747351,0.41389097937830915 +91747352,0.3776650029687916 +91747355,0.3455747841717499 +91747358,0.5253978377653447 +91747359,0.5253978377653447 +91747605,0.3475303356234096 +91747606,0.3640334103079 +91747608,0.33080622776657576 +91747609,0.3566221691825203 +91747611,0.3566221691825203 +91748008,0.4334736832091569 +91748009,0.46513182868911424 +91748011,0.4913839598827824 +91748012,0.33581335146627284 +91749686,0.4893569564438764 +91749687,0.4623502283359235 +91749688,0.31503604522767803 +91749690,0.3733180634384934 +91749691,0.43645636452632836 +91749692,0.5787767947905981 +91751310,0.4398885422002261 +91751311,0.4605327822474569 +91751312,0.4212491008846187 +91751313,0.3958605352355447 +91751314,0.3736018503242966 +91751316,0.39403049553985486 +91751437,0.37523094916843286 +91752775,0.5602717661388715 +91752874,0.39117116906236327 +91752876,0.41928911280507664 +91752877,0.3293021548313859 +91753270,0.47056052318613995 +91753274,0.5436609413629887 +91753673,0.38435293139918125 +92167309,0.39944110675849265 +92170778,0.40079605863611506 +92240481,0.31267142810329596 +92245581,0.38126982310537993 +92245583,0.38126982310537993 +92245889,0.5926618490664389 +92245890,0.5926618490664389 +92245891,0.5926618490664389 +92245892,0.5926618490664389 +92254804,0.5447882492262405 +92258314,0.5778415418650377 +92258315,0.5778415418650377 +92258316,0.5778415418650377 +92258317,0.5778415418650377 +92258329,0.4092039351353655 +94908779,0.5597073753426061 +100854393,0.6402898373193235 +100925967,0.40677144385619046 +100979629,0.4388355211259297 +100979630,0.4352048688186556 +100979631,0.4275273778004583 +101134822,0.5912118161468862 +101244775,0.35688747593724357 +101244776,0.40423568392888093 +101286187,0.425107708412029 +101288094,0.3691544885045977 +101289784,0.471098971960617 +101339003,0.5231491916300832 +101339004,0.41457404408209836 +101339005,0.4477656844927409 +101339006,0.49996049898458306 +101360987,0.41390865344146727 +101526911,0.46985518357477213 +101602684,0.3842487274926395 +101605596,0.4645903230898942 +101609673,0.49996049898458306 +101609674,0.46604611977231436 +101613210,0.4035608268895563 +101613211,0.501769697991249 +101616166,0.5040149955240606 +101635998,0.4520296435524021 +101648301,0.349195508643037 +101664189,0.48292457859501026 +101674026,0.4425094011942117 +101674027,0.4220689537080518 +101696510,0.4641511501268802 +101705400,0.4057249386536631 +101705715,0.41169752017819344 +101779180,0.3755745541115961 +101915797,0.48615554329320293 +101915798,0.4811537273302698 +101915799,0.49162486946785594 +101949642,0.5378784122839685 +102004942,0.6017388928365697 +102064908,0.3967898967950392 +102090418,0.5204952149727166 +102092537,0.5150641876529944 +102115589,0.41710364280562434 +102115628,0.37743363721181006 +102122201,0.4100946035109137 +102144111,0.48645107026527973 +102207572,0.47440339301146417 +102228697,0.43480272162226535 +102228698,0.41457404408209836 +102228699,0.4385287313355594 +102445396,0.5719770320386003 +102478913,0.39334164305787894 +102588230,0.48163930334237337 +118701696,0.5110078928934488 +5380224,0.35897742372843616 +442706,0.3238618882077972 +32319,0.35731587732184944 +158633,0.3307142201692699 +190040,0.3390512010297468 +5352405,0.3658335403376706 +11723103,0.3814590463100077 +91747534,0.34272042184553253 +91747615,0.3331398870273107 +101044824,0.40459457491761347 +101044825,0.44709300800289037 +5281720,0.625573188937394 +5459074,0.6193423223127417 +5281752,0.587217490153807 +5284440,0.6449052899904377 +5281740,0.43670286156913213 +6441254,0.5317916680472045 +22310115,0.5193706652432782 +12041879,0.6117009788001699 +44559774,0.5755044816553311 +59827871,0.5210481022016298 +119243,0.6449052899904377 +526538,0.5630425137063984 +3713463,0.5775914005152342 +4095226,0.4821160060674757 +5281726,0.48888396510561344 +5284370,0.5035763444072363 +6324941,0.5035763444072363 +6428023,0.5630425137063984 +6440206,0.5154521339983513 +6440207,0.5630425137063984 +6440919,0.5355116053207657 +6440920,0.5630425137063984 +6440921,0.5154521339983513 +6441405,0.5193706652432782 +6442432,0.5587380068513056 +10880125,0.4557209187489427 +11111309,0.43468248390876546 +12304138,0.5008250628909773 +14313730,0.5552727279612962 +21606532,0.4476179334634048 +21627985,0.5193706652432782 +89233061,0.43510547501258234 +91746989,0.5154521339983513 +91747000,0.4893627717402904 +91747001,0.5193706652432782 +91753267,0.5406713769770113 +91753269,0.5541754320390178 +91753273,0.587217490153807 +91753275,0.5451466174465085 +100925969,0.5180597978250006 +101057317,0.4476179334634048 +101096098,0.5035763444072363 +101297578,0.5487689534835593 +101360988,0.5630425137063984 +101543954,0.553506966007637 +102059844,0.5775914005152342 +102496937,0.5453116369857435 +102502161,0.4988131872345462 +104764,0.5708534071085333 +5281742,0.4835494251190089 +5281746,0.3732921867918179 +5281748,0.4086321594042459 +6440870,0.620786584255107 +6441180,0.5841734893846783 +168571,0.6170549442459164 +355833,0.3551771196343784 +5799962,0.4120668739520506 +38350,0.3239508133875499 +148320,0.47721152184694116 +148321,0.3909334648478744 +148322,0.2710272237224457 +151347,0.3462015706022442 +151555,0.3389554975399658 +156034,0.43938044525342684 +162396,0.4404537551384372 +178760,0.4295349816210022 +188434,0.46236881214656955 +194088,0.34581036887113215 +232738,0.4120668739520506 +382065,0.3732921867918179 +419279,0.44617699305499203 +442746,0.4068022921460659 +442749,0.36072382320035384 +496831,0.39624679355584685 +526539,0.46236881214656955 +4484072,0.4086321594042459 +4484073,0.40402233358072154 +5232043,0.4988892532668894 +5281722,0.6121192275019043 +5281745,0.5701798633820827 +5281749,0.40402233358072154 +5320938,0.43628839381731477 +5321137,0.3732921867918179 +5352420,0.3732921867918179 +5916866,0.5701798633820827 +6124067,0.4086321594042459 +6428018,0.3234730717386118 +6428020,0.3283047176040102 +6428026,0.3283047176040102 +6428030,0.3732921867918179 +6429060,0.4363193427403016 +6429061,0.3927668568549838 +6429062,0.4363193427403016 +6429063,0.3927668568549838 +6440039,0.377056753764152 +6441496,0.528500765654191 +6442293,0.5188965004690744 +6442685,0.3925769598260546 +6442687,0.3925769598260546 +6445133,0.527926601830561 +6912281,0.4835494251190089 +10086314,0.3478739970209779 +10344513,0.3697454976586085 +10433214,0.4187190389090025 +10497165,0.46236881214656955 +10502318,0.4562688977795087 +10572291,0.44323623813902024 +10717096,0.49734261717535394 +10738499,0.4145869934623966 +10739462,0.43066924308997856 +10787656,0.4487964357411678 +11233017,0.38167408759403815 +11303112,0.3946364138311467 +11369281,0.35110114120110736 +14287858,0.6011226738861721 +14589311,0.4300595051155125 +14589313,0.44508616408870444 +14659818,0.4120668739520506 +16082455,0.40423517013656685 +21144858,0.40407028583266985 +21581303,0.44889901481229616 +21626760,0.3626853775230169 +21670206,0.36705119724460233 +22524559,0.6121192275019043 +23305279,0.5188965004690744 +44148183,0.3925769598260546 +46861355,0.49529457987767106 +51413602,0.3736450327091379 +52340564,0.48077141304273885 +52340565,0.49529457987767106 +68380175,0.4459767208668669 +74934296,0.3925769598260546 +91746536,0.37018619240678713 +91746606,0.4416054997984214 +91747012,0.36072382320035384 +91747610,0.34998023467465617 +91747612,0.34998023467465617 +91747938,0.33042647507682693 +91747943,0.32873535609043364 +91749424,0.3727294306487322 +91749426,0.39634032677296877 +91749427,0.3299338278641791 +91749428,0.29581934455127334 +91749429,0.33535247049224143 +91749431,0.39297016485299047 +91749432,0.3354545605150453 +91749433,0.379351929884214 +91749434,0.3379943936629784 +91749435,0.3151068312382542 +91749436,0.3187963634169024 +91749439,0.40880319539055 +91749440,0.4334835642280312 +91749448,0.29581934455127334 +91749449,0.46052815846922585 +91749454,0.3056910181421654 +91749889,0.41042249803829817 +91749890,0.44722794560933027 +91753677,0.42274944443760454 +91991897,0.3307531645812859 +92019195,0.406451643656505 +92233018,0.4120668739520506 +92246526,0.44617699305499203 +92263445,0.4120668739520506 +92263446,0.5701798633820827 +93504569,0.3708338949662369 +98567771,0.4120668739520506 +100916220,0.4145869934623966 +100976533,0.46236881214656955 +101297661,0.5199946055069069 +101324857,0.39548491244916395 +101360989,0.5281766195779354 +101526912,0.5215117174682151 +101689715,0.54044036283624 +101793685,0.49067203910312307 +101992452,0.5440888737616498 +102207684,0.379351929884214 +102207687,0.4334835642280312 +102372765,0.3927842681075531 +102372767,0.37001687632378144 +102442056,0.4979071119907013 +102442057,0.5105573173305917 +102588231,0.3904081713961082 +102596225,0.3361043848446468 +102596226,0.33589174219121687 +6440436,0.34370541714074737 +656392,0.31923536559267723 +10806120,0.3037516093674667 +10523,0.3343505778443841 +26477,0.27964675104475184 +155104,0.2976981748097593 +155153,0.27964675104475184 +169554,0.3381407530421611 +4483893,0.35691064133672495 +5315247,0.26993792081078233 +10685701,0.35606292444850046 +13967757,0.36046335560111203 +46930232,0.29557733599420394 +51693704,0.36293415539423757 +67189194,0.31318320644505915 +91747354,0.31823893459064795 +91747604,0.33031101696816717 +91747607,0.33031101696816717 +91749893,0.35726795591765337 +91749894,0.31823893459064795 +91749895,0.3680888095832774 +91749896,0.31620628946271895 +91749897,0.3159952142601329 +91749898,0.31763886727550716 +91749899,0.3561491843967574 +101324794,0.2650250437761207 +101360427,0.35032414933367323 +118701599,0.35691064133672495 |