File: FragmentLikeT80_Correlation.csv

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rdkit 201809.1%2Bdfsg-6
links: PTS, VCS
area: main
in suites: buster
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sloc: cpp: 230,509; python: 70,501; java: 6,329; ansic: 5,427; sql: 1,899; yacc: 1,739; lex: 1,243; makefile: 445; xml: 229; fortran: 183; sh: 123; cs: 93
file content (80 lines) | stat: -rw-r--r-- 127,257 bytes
parent folder | download | duplicates (8)
"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,-0.25797181082716486,-0.45124199296093775,0.20509309479449447,-0.23293637992058486,-0.33031828230414545,0.03182597977839106,-0.38755759380483806,-0.580128865015283,-0.5202322155904417,-0.6746949572368693,-0.5664466774342137,-0.6119814953928242,-0.5958555797825263,-0.4728319702902156,-0.5841385044090299,-0.40098617367963085,-0.4504234707589314,-0.45760238611361365,-0.056032708212707616,-0.538799507087662,-0.3811440749015721,-0.32201533496555346,-0.10653426257006245,-0.10805487203840117,0.08585081117012762,-0.09230593003659625,0.19121201087239853,-0.14173727042401987,-0.5208032429835451,0.1350460758371172,-0.5391243523676725,-0.11633536787114099,-0.0751801042395392,0.05339842960211486,0.21256809842115088,-0.0681902776190834,-0.16283437840878204,-0.21569833965214208,-0.20723543837919278,-0.17659124263854944,-0.030898428508285964,-0.004474598436927285,-0.017413027488744515,-0.019395029811859723,0.1266248208277278,0.02742685466887013,0.16675102998771596,-0.08260728832033062,-0.0929733756185806,-0.13468813111154868,-0.26457412968827876,-0.2805421496305728,0.02576354018906453,0.16880453492988443,0.30349625239091865,-0.00638100053903574,-0.0979498704959362,-0.40129363581654753,-0.1705627499667981,0.019844386005919677,-0.22725554707803447,-0.16725294893080458,0.2073632779886093,0.23787807258912969,0.2528521541680694,-0.3241105901850546,0.17900601500655094,-0.08770482279340304,-0.2518447435404731,-0.10983075864544382,0.046953769960476,-0.21169429181312038,-0.29258323948937054,0.17469537127542287,-0.022331652817865977,0.10502262470330817,0.004961947924659501,0.23480421181766745
"BertzCT",-0.25797181082716486,1.0,0.6514159824100897,-0.7968645792601281,0.41996055316340625,0.21476113692782706,-0.1772871134603279,0.7336586956646994,0.7977045534034779,0.6036473822045024,0.5480244597487827,0.39654284591073724,0.39915779843392885,0.3598407692636129,0.5767620577475031,0.45742636262601966,0.24485483911885794,0.25026220072672445,0.23104725532244394,0.366968916713498,0.719080980471998,0.6301508920557197,0.65120426285657,-0.002449710629515987,0.3643843105571603,0.25176881380886595,-0.01309975249351043,0.12830939381688702,-0.05183513063880716,0.6344854296057034,0.2940518378017608,0.7324475629773809,-0.08183072034403023,0.15908584162779132,0.20073856275933527,0.0065715601892566465,-0.01088839209632486,0.276016564997016,0.21645193194369822,0.16067588329501117,0.03352326537871993,0.1333597776465474,0.10563497108536841,0.028143246578623642,0.18872735332056892,-0.053003268875585687,-0.17818977897505145,0.09046817247885226,0.3061696393967013,-0.06886291362019992,-0.2019611029527662,-0.2610727751065285,0.7117730037727596,0.2902349213589676,0.05374532378827677,-0.10729946078706686,0.009843188994580122,0.11102996997628267,0.1637865510013012,-0.06133396493568534,0.2492527238838113,0.42576710435107723,0.08709654126954904,-0.13589165024159947,0.0029248133111555706,-0.01877050732386856,0.5229023492452338,-0.15791599590186373,0.11169410608917262,-0.1856385867397557,-0.03150359948515913,0.018377340080393902,-0.0786126621422755,0.6622029517911615,-0.05992556194749163,0.6100884542613029,0.01319608240708843,0.08059016193632657,-0.21390262485325132
"Ipc",-0.45124199296093775,0.6514159824100897,1.0,-0.5167766307692908,0.5079012243086646,0.39052787784748644,0.04084126449140674,0.6804631306182504,0.7570092363227496,0.6563415528980946,0.67399708452111,0.5484297993468326,0.5542871320531538,0.5192356324552914,0.6242711812269448,0.5537376423717585,0.3526471028651864,0.35142482719561685,0.31919214063036966,0.24247515805390987,0.6898896742312706,0.6291459035047786,0.6043177331339972,0.028108864156308214,0.23847741587371254,0.06527644025055561,0.014237667068978721,-0.0129498137377626,0.12313982120895628,0.6822919131317099,0.08167385089243084,0.7279973489914309,0.04905342920136317,0.1406742350663955,0.03433075477830901,-0.06605011166258808,-0.05748453301675343,0.2688820150212832,0.23655866664029876,0.2105215448759451,0.11994601502869802,0.1004571978514745,0.05386332087698683,0.03005277428968349,0.11915239128590951,-0.04606371024955093,-0.023522382204993322,0.004703281436079307,0.15010924015178173,0.019115101938639672,0.011034455089566589,0.025111619584142316,0.5121120027822649,0.17274736200326923,-0.08776423024473563,-0.13264310568118826,0.05340199914594424,0.08700676540346271,0.2875678910224183,0.04032330420000386,0.08535890898474208,0.3291832516704657,0.16619006446971876,-0.13627095893077146,-0.042093035178258666,-0.0950025901949953,0.4768507724660348,-0.16596329403742538,0.08726374412678824,0.07994679630559962,0.06680156616160013,0.017699289919470052,0.12149553965101394,0.4790871968071198,-0.10124874987223029,0.3025893105188953,-0.006437244965981075,0.040357964417202824,-0.25441687647748695
"HallKierAlpha",0.20509309479449447,-0.7968645792601281,-0.5167766307692908,1.0,-0.3401612817078087,-0.29937679645509957,0.062231960488017296,-0.6475664516869303,-0.7051761202810769,-0.5024171759777744,-0.42808007694626643,-0.22982132958657817,-0.21283316013917644,-0.1594111376901426,-0.30356567805221985,-0.10445711523960871,0.1769381431907368,0.16843714525658887,0.17858100226751605,-0.2000074050248054,-0.5164206496264544,-0.33353215665819125,-0.35355972450006173,-0.04339756384331292,-0.45452738214708127,-0.24702999474166756,-0.022872315721548554,-0.01642371359273347,-0.14118982330848864,-0.5085867267571,-0.42114787524858666,-0.5450475347794599,-0.012655516206514825,-0.22367660859995464,-0.1157771703892288,-0.019575025903438216,0.15431127465701655,-0.2346392171040789,-0.1369354213749717,-0.13970806860769053,0.0271623698125337,-0.10779350826850395,-0.03858200117220682,-0.047561513601806486,-0.16074396291658008,-0.007645104588345404,0.08538160267159271,-0.188096785504894,-0.26628540189565264,0.08539748936249522,0.2960164677175421,0.2816711729420401,-0.7539147903320329,-0.3759642146028254,0.24283237733407087,0.10947364275618961,-0.034203162621797865,-0.10678521897481792,-0.03898162271518966,0.1594308789537419,-0.31544702977467687,-0.4426709365735932,0.016345809820204525,0.20883848092632556,-0.06007035141403105,0.09395321269239988,-0.6775427658196563,0.3312493318773991,-0.1799023941568583,0.1820646902243354,0.10619467628321386,-0.012335924401393208,0.10801525043610045,-0.7443315370572219,0.1533896729209683,-0.4043078049505198,-0.13468832555158988,-0.15547224234344684,0.5422274247847321
"Kappa1",-0.23293637992058486,0.41996055316340625,0.5079012243086646,-0.3401612817078087,1.0,0.79485208090875,0.5248651850163052,0.8935874876215042,0.755641298652132,0.8306195962405831,0.712249856411047,0.6414432857382888,0.5103964662264899,0.42881307619320114,0.8442610624926885,0.6665658448030007,0.5299437465949886,0.39270876221783624,0.31317604770692065,0.20174868218801817,0.7385682195228698,0.7772380310368523,0.7158245508261943,0.11400610496438471,0.29793370694717913,0.18804903271844184,0.09707130462048194,0.18668989367999592,0.5304084547770512,0.8900104383886455,0.1954294018014946,0.8294490839345875,0.17210568081702696,0.15837343260215395,0.012579466449858393,0.06705842603862935,-0.06688852871117293,0.2267569097915815,0.24265289533454482,0.21632328525391098,0.15147577690458766,0.09524493350919759,0.04087875732144985,0.053698433874119426,0.10319527477962273,0.0959510875865372,0.26484759428639354,0.09088228035736871,-0.058403183411149875,0.08453367596372813,0.2842394413765816,0.21929044056996003,0.2757978218159153,0.07204239965906964,-0.09071690348634806,0.15429898291122585,0.2317672871013565,0.14071668008623242,0.19646312485037284,0.08181234407848861,0.11277850804559432,0.2171401046053189,0.006496980547442121,-0.043690989387881546,0.25248504272151756,0.09392665298512427,0.49130066360136776,-0.12155782245076828,0.16242463229503107,0.29579058781218703,0.17223349536069016,0.14444195244399421,0.3475806565315439,0.23607262809702095,-0.06027426017960311,-0.07227608589240461,0.12689447423255806,0.012258381130095107,-0.19511239769568434
"Kappa2",-0.33031828230414545,0.21476113692782706,0.39052787784748644,-0.29937679645509957,0.79485208090875,1.0,0.7111603690964577,0.6314514722925281,0.60636805762518,0.6162044519797437,0.5516411447536173,0.34750073389684566,0.2550972286836143,0.1789886732526252,0.63448365123762,0.5176563884264924,0.2513488329206557,0.16250315765108103,0.092269038733734,0.13923874234044803,0.6298523674139651,0.5702365403771413,0.5148597964135938,0.1346973522486522,0.17727813941525516,0.04717102198057354,0.12130921567448791,0.02554120756957086,0.6967575770665234,0.6450524891715246,0.07034585298560066,0.6518931236480711,0.12926120736975327,0.10571581734166859,-0.04046519343875924,0.02100870480676638,0.0025824497566061867,0.24423464184805005,0.15813448388586412,0.21771970344257227,0.13698942191542793,0.06851096831819652,-0.03347065016419418,0.024631039604911927,0.03415845054464572,-0.03808461264156737,0.06577076249298457,0.11112828562389343,-0.03206502539250251,-0.043697194212207344,0.06509152110913283,0.32032033066400123,0.31153080458146426,0.10697104087356166,-0.09088690133184699,-0.11493305795180259,0.046808303398610085,0.07328388136854341,0.1915138875682132,0.11871592919552477,0.155784590047894,0.2583072403286683,0.06290185548705847,-0.04085749587321088,-0.024350350276664694,-0.12360866926347562,0.4422663952892171,-0.06564763142975732,0.1730186761173214,0.2872380402006389,0.03409820074463443,0.020287377700750026,0.16707381702264132,0.32627674726871125,-0.07261074219806261,-0.1430888309579041,0.017061368685900604,0.019161692612967657,-0.1247636085107037
"Kappa3",0.03182597977839106,-0.1772871134603279,0.04084126449140674,0.062231960488017296,0.5248651850163052,0.7111603690964577,1.0,0.22122720641421242,0.10429122818304842,0.1956333189099089,0.10431451525602393,0.041482856308908723,-0.1339751508521542,-0.17263817104507684,0.24266847785901324,0.16673112551118563,0.10052827991114696,-0.10304617099364802,-0.14839913598637813,0.014189984015941886,0.1693356175087877,0.21782152321194842,0.1816463669970708,0.11240503376088783,0.024389000102852203,0.006431655192930442,0.11050876067512497,0.0914066226388746,0.6411805596756616,0.23176220561371857,0.013533938514696474,0.183379111470247,0.08261142369346541,0.01588215164043539,-0.009324589699940293,0.050827456494084974,-0.01548685415574884,0.09166861762611714,0.020689730646467376,0.06696480614600948,0.034439620352947405,-0.024778166316295012,-0.06570854283821839,0.03945386728129857,-0.03464567383199329,0.05550058206823927,0.1665778423065237,0.019807046033609242,-0.12896645578074,-0.05591314881452353,0.08468441390351489,0.26050582739209105,-0.031824790380775694,-0.027192113889450337,-0.022112244045759996,0.09062916739230616,0.034879203892085923,-0.037607775797380595,-0.016971125908515173,0.04413467995474386,0.05572751928241355,0.03807790529529606,0.005170269822208288,0.013866650602886851,0.11017035764062352,0.08922605615199615,0.05562992941425769,-0.0014497618546726089,0.10634466931555843,0.2193377174024533,0.050168648487835366,-0.054131702736704486,0.07573277208471625,0.01951157697346069,-0.01757153999342209,-0.29276132779815456,0.09061945633975511,-0.030773228258452058,0.04191277301511792
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