File: LeadLikeT80_Correlation.csv

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rdkit 201809.1%2Bdfsg-6
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"row ID","BalabanJ","BertzCT","Ipc","HallKierAlpha","Kappa1","Kappa2","Kappa3","Chi0","Chi1","Chi0n","Chi1n","Chi2n","Chi3n","Chi4n","Chi0v","Chi1v","Chi2v","Chi3v","Chi4v","MolLogP","MolMR","MolWt","HeavyAtomMolWt","NHOHCount","NOCount","NumHAcceptors","NumHDonors","NumHeteroatoms","NumRotatableBonds","NumValenceElectrons","TPSA","LabuteASA","PEOE_VSA1","PEOE_VSA2","PEOE_VSA3","PEOE_VSA4","PEOE_VSA5","PEOE_VSA6","PEOE_VSA7","PEOE_VSA8","PEOE_VSA9","PEOE_VSA10","PEOE_VSA11","PEOE_VSA12","PEOE_VSA13","PEOE_VSA14","SMR_VSA1","SMR_VSA2","SMR_VSA3","SMR_VSA4","SMR_VSA5","SMR_VSA6","SMR_VSA7","SMR_VSA9","SMR_VSA10","EState_VSA1","EState_VSA2","EState_VSA3","EState_VSA4","EState_VSA5","EState_VSA6","EState_VSA7","EState_VSA8","EState_VSA9","EState_VSA10","VSA_EState8","VSA_EState9","VSA_EState10","SlogP_VSA1","SlogP_VSA2","SlogP_VSA3","SlogP_VSA4","SlogP_VSA5","SlogP_VSA6","SlogP_VSA7","SlogP_VSA8","SlogP_VSA10","SlogP_VSA11","SlogP_VSA12"
"BalabanJ",1.0,-0.5323763887812277,-0.39882319573608616,0.4566007144994526,-0.3943961387415677,-0.37942556511486114,-0.06512822700009836,-0.5412555116328274,-0.668419245273339,-0.5961220882317471,-0.6866675443073936,-0.6178997212121218,-0.6267832291247352,-0.5856941665631173,-0.575253303012802,-0.6190786713684393,-0.48615407771950375,-0.4906514278857043,-0.46330353617417724,-0.24370673490800202,-0.6460959350965609,-0.5558790812977707,-0.5413361117850949,-0.13409468381867876,-0.26238139403998834,-0.18836679273002568,-0.12468261125098165,-0.10061967522286802,-0.22703523292323913,-0.5913448634163919,-0.05920154196949304,-0.63613939860197,-0.11865884590594836,-0.14847858414685552,-0.045530895793892204,0.14091075105987988,-0.14446157667395,-0.22699356270249973,-0.3489187804332648,-0.24538164671418866,-0.13681199426913315,-0.1148789288032662,-0.08017207840311975,-0.11600157846666506,-0.12592169471030376,0.1630498889798535,0.039799972540641076,0.1617619167721622,-0.26524340783540523,-0.0029314016308220514,-0.023867460288928898,-0.19007615030920053,-0.4930854404590894,-0.052152309923182115,-0.06902124786655116,0.28748854235878757,-0.1054827466696156,-0.23732375091111016,-0.3791477476215775,-0.12011586721649492,-0.13538103010202887,-0.3366378058351061,-0.20556382280887986,0.12779339649233462,0.15804414575239875,0.17852413651852256,-0.45766230162403904,0.07525296315013803,-0.17118224657128076,-0.23887863710054455,-0.07479716878603733,0.04672395803623962,-0.15777568101635026,-0.47706177132603145,0.10659101973773678,-0.14139660839285836,0.028455050192917344,-0.09207424160990946,0.08077119073553155
"BertzCT",-0.5323763887812277,1.0,0.586348457266878,-0.8201865117906749,0.6025094860642203,0.3747564624268501,0.0076319922929865445,0.8123856720948457,0.8589641872577178,0.748660937636379,0.7199261868135366,0.6327158041954262,0.6088566974248435,0.5448281872349234,0.7350983356940753,0.670517778390504,0.5296003625608674,0.499646855055336,0.44419440671452237,0.46908920493268486,0.8107984706277422,0.7734711457024739,0.789209381040542,0.020259176256714577,0.4847988794254386,0.4398207336588558,0.011516180354984295,0.371407479951419,0.14463660031418546,0.7626467940808223,0.3813288979775127,0.8156553680142122,0.013068732415754666,0.21708159478618566,0.25409590541356664,0.027983299209569375,0.08206555484683101,0.30572040422808217,0.35545252820703543,0.21658943226540808,0.16864151110798198,0.1908185166064522,0.14215398983612065,0.1076227208772637,0.266730252168146,-0.03626545577901753,-0.01894505471745572,0.03690582189122477,0.34816086933869145,-0.06039556743696417,-0.12064348693499315,-0.11466365524521066,0.7423841807980766,0.28281311715299945,0.22312701965620096,-0.017549794943404515,0.1748617209216022,0.2871960030579571,0.20610176519700352,0.03440339938127593,0.31581598731742194,0.4160535409302794,0.09881731989836494,-0.0887920238712779,0.13431576992965066,0.07085599830285293,0.5992085450700014,-0.12661744418623644,0.1628048502793484,0.02392462379087756,0.05338416183989184,0.05331545900538645,0.04098513805266806,0.6838791038204213,-0.04372942335266426,0.5478651168193938,0.0744186301625434,0.12030961467699358,-0.07482758971378775
"Ipc",-0.39882319573608616,0.586348457266878,1.0,-0.49973942702540786,0.4680825099017085,0.36682418140107753,0.1203657787927537,0.5750939742655434,0.6233148919923036,0.5823111336139325,0.6015543063395001,0.5452608286631528,0.5385608916466245,0.49892188373525653,0.544350622054905,0.503935119356644,0.3874161653363073,0.36897322748624317,0.3297586277458377,0.2555844274015459,0.5880581858357863,0.5406418124215292,0.5326608603857564,0.0433301761844877,0.2821972284218865,0.19376369424022857,0.03604742759510261,0.14326193542397828,0.19911863208962302,0.5750761327510383,0.15006288241107008,0.594197078904376,0.13019904082281775,0.12880086960540293,0.06582262445289953,-0.03047914360762399,-0.02536977985649506,0.2498785929515805,0.2791853862214305,0.20863326496806234,0.15505705021256636,0.12193610942802478,0.0755424422600916,0.061039418893920075,0.1412995517046269,-0.03747564268983606,0.05173658306589566,-0.0149116048257275,0.19041132957540002,-0.01772198205144319,0.0177149781747959,0.08702462794209526,0.4680857645401222,0.17270461880944038,0.0341387357515399,-0.07702120037630432,0.12616542090984653,0.1956655424575016,0.25958993420776544,0.0043987736835232995,0.10760542761370061,0.3268816306869853,0.14861848496634916,-0.05163813940646588,0.020578935084420616,-0.048600790450749484,0.45721782826891216,-0.09486451499711196,0.12079517734556583,0.17761812879898883,0.07908570432943925,0.01659419030325246,0.1405975325343852,0.43191042692279424,-0.07372763860031156,0.2788868025666063,0.01897671665555417,0.09356113383110976,-0.15700379619337576
"HallKierAlpha",0.4566007144994526,-0.8201865117906749,-0.49973942702540786,1.0,-0.48471365041780046,-0.37833144857941864,-0.05469303188925695,-0.7023076716981754,-0.7519439167027328,-0.6256384922962976,-0.5840855653895151,-0.4508049589825393,-0.41460615357560576,-0.34084925992382326,-0.4995099823241212,-0.3545554122569306,-0.12323779831407204,-0.08348699746748284,-0.02878568634461041,-0.28980012048196935,-0.6289017731893581,-0.5389656583540711,-0.5534563700157312,-0.09249498646277172,-0.5495509961399159,-0.4048568959227143,-0.08008556535782017,-0.2478605224564939,-0.2273629228724889,-0.6259552582461997,-0.48337748662295377,-0.6457297301644586,-0.10755106900791825,-0.2956244008468765,-0.15317758971269882,-0.018579798346756354,0.09451835245926353,-0.28158213102936497,-0.24664822147124718,-0.16593394601673733,-0.08159846303713258,-0.16833734870046144,-0.09295106937824722,-0.08340150365661735,-0.2556911410690368,-0.050263174169810555,-0.0349111153064868,-0.11864729541978092,-0.32261691919229896,0.07387074274287875,0.252915219524184,0.16501819567373122,-0.7699060259638776,-0.34500527313983154,0.05966292897645647,0.02307195514932804,-0.18735433512172145,-0.2428013520399677,-0.04487356245995082,0.07211956002082692,-0.34526751516050813,-0.42318279795494856,-0.0264410694313352,0.15545639511415738,-0.16094031102136783,0.07353743322029908,-0.7400635267377312,0.2687003862237455,-0.25389002920336934,0.006170494607509714,0.027006149671714497,-0.03174882497104816,0.018314626300447914,-0.7425275011890935,0.15189766824724893,-0.38564809244654313,-0.1760723626032443,-0.19196775016790973,0.43536466193331574
"Kappa1",-0.3943961387415677,0.6025094860642203,0.4680825099017085,-0.48471365041780046,1.0,0.8819364812505032,0.6405259656675342,0.9398612325483048,0.8667385931519698,0.9064144179877804,0.8312427019915037,0.7449715064533472,0.6222851588431809,0.517280944405415,0.9235262232834309,0.8293473678463827,0.7023694555120416,0.5791044731219751,0.4754366471358967,0.35665496332435465,0.859573703462792,0.9084944177999205,0.8841951062812176,0.18560268444596043,0.49110409262884364,0.45966240912018913,0.17498590973512013,0.4893709184667787,0.7166479186089932,0.9444717069804289,0.3662842868348066,0.9093526957613929,0.26986107663896575,0.25713281623462897,0.13109083620986672,0.0672010100993024,0.02825619365496153,0.26388820561334947,0.4046410158941353,0.2737398394156058,0.24476026851794744,0.1439759222763948,0.09838460950297262,0.1514820604619351,0.17473425965223163,0.1637779026955158,0.3837925873704655,0.02303432493890432,0.09331761815857517,0.027397115501115715,0.24859302338864664,0.3131625815564365,0.42909247701059267,0.07825041924563458,0.1849598085605635,0.2124635919748769,0.35349199799042885,0.32519066006435626,0.21910620497077155,0.12653908957533253,0.24789621633151346,0.2414702027138119,0.04431113191777441,0.06733935568156961,0.3510134431548283,0.17054562888582414,0.5906878402327038,-0.035994402755609174,0.26708668951912856,0.4098669648722034,0.3034029795155813,0.13730104143258068,0.34090570702488904,0.3681315005104656,0.005571248584433536,-0.013170455522500235,0.16461954389657069,0.10944782043957742,0.0154972788495784
"Kappa2",-0.37942556511486114,0.3747564624268501,0.36682418140107753,-0.37833144857941864,0.8819364812505032,1.0,0.8296944185247058,0.7526245371824589,0.7155938219220976,0.746551699292069,0.6904072471355079,0.5272307748511075,0.40519110021987736,0.2963587998756243,0.7663836671066417,0.6902628381904142,0.4950126147016595,0.38085884761367017,0.2765460178984035,0.2701877711161012,0.7393326549420925,0.7341961630709695,0.7043605923732852,0.22602724555966688,0.3695536742786972,0.3264664233185978,0.21786718494267965,0.3354340796960795,0.8625512993279394,0.7718554492532816,0.2526267689809508,0.7558064231700312,0.277173847808734,0.20540719007477787,0.04083605859644685,0.0202531152847751,0.06115074564255517,0.2707488021739686,0.3203135082276129,0.24532259283840133,0.20764602139423036,0.10581390591110425,0.03565532211670074,0.10756644308330889,0.08650947760837852,0.09643482337578696,0.2681042457250686,0.024238491880590917,0.06674716055967306,-0.05246794824968318,0.14296471747990824,0.402129832576223,0.36968748071576224,0.053134892927816854,0.14240640957227008,0.03020169821530173,0.23984436216319938,0.26457713660948745,0.19846092816169963,0.11935396949585628,0.22128773662960924,0.25711935145394804,0.08810841309946837,0.08257342054770056,0.1499791219152715,-0.010534755028913424,0.5392627946517433,0.0279630444412613,0.277709482413866,0.41648260659748204,0.23253935569114523,0.021587830154740216,0.24208625309457685,0.3576872525352715,-0.005527405043243368,-0.11726458847451367,0.07120501980541512,0.09810887000646962,0.038023146702003394
"Kappa3",-0.06512822700009836,0.0076319922929865445,0.1203657787927537,-0.05469303188925695,0.6405259656675342,0.8296944185247058,1.0,0.4136649056807543,0.3283832000793211,0.39757396770264564,0.32331513728459194,0.2157564580927795,0.04224904252827431,-0.04191347564412801,0.4358309064678264,0.3852260297720209,0.28171140741139344,0.10711094428225444,0.021852195064300504,0.10165990906799496,0.37303635853336703,0.4133348799290446,0.38569570924043556,0.23276288549369645,0.2068670664995743,0.20427344751210272,0.23057985707535353,0.2670863852049351,0.8258902672477263,0.43680417346639205,0.17550849313373643,0.3901615243677638,0.22610573641751955,0.11901812231141473,0.02207284521737878,0.03390986230590645,0.01882163147913856,0.1281364099888856,0.16740802423601073,0.11898154386979448,0.09878907664578429,0.003492877692583418,-0.02588504565304943,0.08697068600670385,-0.0036436822856837263,0.14386179035515956,0.30217343217017467,-0.02609082736782295,-0.0511649329893783,-0.06065152403759803,0.1610833081094741,0.35245043465240855,0.06401198431212325,-0.07281027570267681,0.10692517730298491,0.12954628131093984,0.17968184864457631,0.12164707078560304,0.035357714786095444,0.07041393378190382,0.11204801297549026,0.07018363015373028,0.02313529928615585,0.0937092098701367,0.19188776205740846,0.09633430184954968,0.22751346244523277,0.041761622402035445,0.22706818436150036,0.32166426429984607,0.2267191705540468,-0.051560148438396944,0.16010720372889087,0.08947538920958713,0.024853141107457323,-0.2713640721025327,0.0846194737093108,0.0270563525838595,0.10889178471345855
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"Chi1",-0.668419245273339,0.8589641872577178,0.6233148919923036,-0.7519439167027328,0.8667385931519698,0.7155938219220976,0.3283832000793211,0.9734872851607795,1.0,0.955979803382592,0.9401841849959908,0.8362840415747602,0.7800569489685886,0.6944955890410137,0.9270522653007695,0.8522621441872321,0.6729141646204077,0.6132509815176128,0.5365779221757468,0.4251646058554305,0.9555199194692979,0.9208962011991717,0.9076218185572357,0.13520153201681376,0.5231466927873855,0.44114716492441547,0.12196191507847597,0.3847043821559713,0.4744902126425637,0.9697638455342813,0.34812432804571036,0.9815044197088877,0.20877469823707429,0.2614550702209547,0.14915588625841142,0.0037773053956901997,0.0465634865194822,0.3441275154414645,0.4432106853708802,0.3027355971001506,0.24281037701703492,0.19559578467475314,0.13087547136782873,0.1419191567189879,0.2241420324843963,0.031931198715481855,0.18542380471554404,0.0029777871868924308,0.2516864242311175,-4.7680010363058517E-4,0.08523186855350254,0.18557463012341563,0.6784084673343617,0.2086828514268623,0.1367674767750573,0.0041215134440371745,0.27430954785770767,0.3484529335802012,0.32218558419140714,0.09959779348530944,0.280559482625386,0.40822988854270226,0.13250245192285665,-0.0442250160260246,0.17193596812579395,0.019805815456469172,0.72340898675325,-0.11421689751534493,0.25908473209626387,0.3086448741459364,0.1809344282051479,0.08591368418466476,0.251569781863949,0.6209175076302558,-0.06953030863463586,0.2576619101524585,0.11926377915382083,0.1558473379633015,-0.13325200774317106
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