diff options
Diffstat (limited to 'nch/data/01/LOAEL-mol_orig-features_enc.csv')
| -rw-r--r-- | nch/data/01/LOAEL-mol_orig-features_enc.csv | 440 |
1 files changed, 440 insertions, 0 deletions
diff --git a/nch/data/01/LOAEL-mol_orig-features_enc.csv b/nch/data/01/LOAEL-mol_orig-features_enc.csv new file mode 100644 index 0000000..39bda65 --- /dev/null +++ b/nch/data/01/LOAEL-mol_orig-features_enc.csv @@ -0,0 +1,440 @@ +SMILES,khs.ssS,VC-5,ATSp2,Kier3,ATSc5,topoShape,SC-5,C2SP2,ATSp3,C1SP2,C2SP3,ATSp4,khs.dO,SPC-4,C1SP3,WPATH,MDEC-12,MDEC-33,ATSp5,SPC-5,MDEC-13,SPC-6,SCH-5,khs.dsN,PetitjeanNumber,SCH-6,MDEO-11,khs.sssN,SCH-7,MDEN-22,ECCEN,khs.sOH,MDEO-12,VCH-5,VP-0,VP-1,VCH-6,ATSm1,VP-2,khs.ssCH2,VCH-7,ATSm2,VP-3,TopoPSA,MDEC-22,SP-3,VP-4,MDEC-23,ATSm3,VP-5,khs.sCl,ATSm4,SP-4,VP-6,khs.ssO,ATSm5,geomShape,ATSc1,khs.aaCH,VPC-4,SP-5,VP-7,MDEO-22,ATSc2,VPC-5,SP-6,Kier1,SP-7,ATSc3,VC-3,VPC-6,fragC,khs.dssC,VC-4,SC-3,ATSp1,khs.dsssP,Kier2,ATSc4 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