Galaxy History ' QSAR Weka'


DatasetAnnotation
2: structures.sdf
241,756 lines
format: txt, database: ?
Info:
uploaded txt file
Mrv0541 02231216082D
155160 0 0 1 0 999 V2000
-19.1798 -19.8286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-18.5326 -19.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3: PaDEL1 on data 2
8 lines
format: txt, database: ?
Info:
Processing AUTOGEN_file_1 in file.sdf (1/7).
Processing [NO NAME] in file.sdf (2/7).
Processing [NO NAME] in file.sdf (3/7).
Processing [NO NAME] in file.sdf (4/7).
Processing AUTOGEN_file_6 in file.sdf (6/7).
Processing AUTOGEN_file_5 in file.sdf (
Name,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATSc1,ATSc2,ATSc3,ATSc4,ATSc5,ATSm1,ATSm2,ATSm3,ATSm4,ATSm5,ATSp1,ATSp2,ATSp3,ATSp4,ATSp5,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-
1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,
SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,CrippenLogP,CrippenMR,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHss
NH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndN
H,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nss
AsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,S
4: Convert_csv_to_arff on data 3
780 lines
format: text, database: ?
@relation dataset_8464.dat
@attribute Name {AUTOGEN_file_5,AUTOGEN_file_6,'[NO NAME]',AUTOGEN_file_1}
@attribute nAcid numeric
@attribute ALogP numeric
@attribute ALogp2 numeric
5: supervised_filter
780 lines
format: txt, database: ?
@relation dataset_8464.dat-weka.filters.supervised.attribute.Discretize-Rfirst-last
@attribute Name {AUTOGEN_file_5,AUTOGEN_file_6,'[NO NAME]',AUTOGEN_file_1}
@attribute nAcid {'\'All\''}
@attribute ALogP {'\'All\''}
@attribute ALogp2 {'\'All\''}
6: Unsupervised_filter
780 lines
format: txt, database: ?
@relation 'dataset_8464.dat-weka.filters.unsupervised.attribute.StringToWordVector-R-W1000-prune-rate-1.0-N0-stemmerweka.core.stemmers.NullStemmer-M1-tokenizerweka.core.tokenizers.WordTokenizer -delimiters \" \\r\\n\\t.,;:\\\'\\\"()?!\"'
@attribute Name {AUTOGEN_file_5,AUTOGEN_file_6,'[NO NAME]',AUTOGEN_file_1}
@attribute nAcid numeric
@attribute ALogP numeric
@attribute ALogp2 numeric
26: test.arff
456 lines
format: txt, database: ?
Info:
uploaded txt file
@relation yeast-weka.filters.unsupervised.instance.Resample-S0-Z30.0-no-replacement
@attribute f0 numeric
@attribute f1 numeric
@attribute f2 numeric
@attribute f3 numeric
27: train.arff
1,050 lines
format: txt, database: ?
Info:
uploaded txt file
@relation yeast-weka.filters.unsupervised.instance.Resample-S0-Z30.0-no-replacement-V
@attribute f0 numeric
@attribute f1 numeric
@attribute f2 numeric
@attribute f3 numeric
30: wekatool on data 27
1,058 lines
format: model, database: ?
@relation yeast-weka.filters.unsupervised.instance.Resample-S0-Z30.0-no-replacement-V-weka.filters.supervised.attribute.NominalToBinary
@attribute f0 numeric
@attribute f1 numeric
@attribute f2 numeric
@attribute f3 numeric
32: wekatool on data 27
5,457 lines
format: model, database: ?
binary file
33: wekatool on data 27
72 lines
format: txt, database: ?
Random forest of 10 trees, each constructed while considering 4 random features.
Out of bag error: 0.4803