Toxicity

About

The dataset includes 171 molecules designed for functional domains of a core clock protein, CRY1, responsible for generating circadian rhythm. 56 of the molecules are toxic and the rest are non-toxic. Preprocessing description: The data consists a complete set of 1203 molecular descriptors and needs feature selection before classification since some of the features are redundant. We used Recursive Feature Elimination together with Decision Tree Classifier (DTC) to get the best set of molecular descriptors for DTC. Subsetted data with 13 features is included as supplementary file.

Subject Area

Biology

Instances

171

Features

1,203

Data Types

Tabular

Tasks

Classification

Feature Types

–

Features

Name	Role	Type	Units	Missing Values
JGI2	Feature	Continuous	-	No
JGI3	Feature	Continuous	-	No
MATS3v	Feature	Continuous	-	No
nHBint10	Feature	Integer	-	No
MATS3s	Feature	Continuous	-	No
MATS3p	Feature	Continuous	-	No
nHBDon_Lipinski	Feature	Integer	-	No
minHBint8	Feature	Continuous	-	No
MATS3e	Feature	Continuous	-	No
MATS3c	Feature	Continuous	-	No
minHBint2	Feature	Continuous	-	No
MATS3m	Feature	Continuous	-	No
minHBint6	Feature	Continuous	-	No
minHBint7	Feature	Continuous	-	No
minHBint4	Feature	Continuous	-	No
MATS3i	Feature	Continuous	-	No
VR3_Dt	Feature	Continuous	-	No
SpMax8_Bhi	Feature	Continuous	-	No
SdsN	Feature	Continuous	-	No
SpMax8_Bhm	Feature	Continuous	-	No
SpMax8_Bhe	Feature	Continuous	-	No
ECCEN	Feature	Integer	-	No
MDEC-14	Feature	Continuous	-	No
SpMax8_Bhs	Feature	Continuous	-	No
SpMax8_Bhp	Feature	Continuous	-	No
SpMax8_Bhv	Feature	Continuous	-	No
MDEC-11	Feature	Continuous	-	No
MDEC-12	Feature	Continuous	-	No
MDEC-13	Feature	Continuous	-	No
VR2_Dt	Feature	Continuous	-	No
BIC5	Feature	Continuous	-	No
ATS7s	Feature	Continuous	-	No
ATS7p	Feature	Continuous	-	No
ATS7v	Feature	Continuous	-	No
ATS7i	Feature	Continuous	-	No
ATS7m	Feature	Continuous	-	No
ATS7e	Feature	Continuous	-	No
mintN	Feature	Continuous	-	No
nHsNH2	Feature	Integer	-	No
khs.sssCH	Feature	Integer	-	No
minHBint3	Feature	Continuous	-	No
maxdssC	Feature	Continuous	-	No
nT6Ring	Feature	Integer	-	No
minHBint5	Feature	Continuous	-	No
nF8Ring	Feature	Integer	-	No
minssCH2	Feature	Continuous	-	No
SpMax_DzZ	Feature	Continuous	-	No
ETA_EtaP	Feature	Continuous	-	No
nHsOH	Feature	Integer	-	No
SpMin1_Bhe	Feature	Continuous	-	No
maxHother	Feature	Continuous	-	No
nHBAcc_Lipinski	Feature	Integer	-	No
StN	Feature	Continuous	-	No
khs.aaS	Feature	Integer	-	No
khs.aaO	Feature	Integer	-	No
khs.aaN	Feature	Integer	-	No
Sare	Feature	Continuous	-	No
SHAvin	Feature	Continuous	-	No
SpMax3_Bhv	Feature	Continuous	-	No
SpMax3_Bhp	Feature	Continuous	-	No
SpMax3_Bhs	Feature	Continuous	-	No
SpMax3_Bhe	Feature	Continuous	-	No
SpMin6_Bhi	Feature	Continuous	-	No
SpMax3_Bhm	Feature	Continuous	-	No
SpMax3_Bhi	Feature	Continuous	-	No
ETA_EtaP_F_L	Feature	Continuous	-	No
mindCH2	Feature	Continuous	-	No
AATSC2e	Feature	Continuous	-	No
AATSC2c	Feature	Continuous	-	No
AATSC2m	Feature	Continuous	-	No
AATSC2i	Feature	Continuous	-	No
nsBr	Feature	Integer	-	No
AATS5p	Feature	Continuous	-	No
AATSC2v	Feature	Continuous	-	No
AATSC2p	Feature	Continuous	-	No
AATSC2s	Feature	Continuous	-	No
VABC	Feature	Continuous	-	No
maxdNH	Feature	Integer	-	No
khs.ddsN	Feature	Integer	-	No
RotBtFrac	Feature	Continuous	-	No
ATS4e	Feature	Continuous	-	No
ATS4m	Feature	Continuous	-	No
nFRing	Feature	Integer	-	No
ATS4i	Feature	Continuous	-	No
EE_DzZ	Feature	Continuous	-	No
ATS4s	Feature	Continuous	-	No
ATS4p	Feature	Continuous	-	No
ETA_Alpha	Feature	Continuous	-	No
khs.sssN	Feature	Integer	-	No
EE_Dzi	Feature	Continuous	-	No
MAXDN	Feature	Continuous	-	No
EE_Dzm	Feature	Continuous	-	No
EE_Dze	Feature	Continuous	-	No
EE_Dzs	Feature	Continuous	-	No
EE_Dzp	Feature	Continuous	-	No
EE_Dzv	Feature	Continuous	-	No
ATS8e	Feature	Continuous	-	No
maxsOH	Feature	Continuous	-	No
minssssNp	Feature	Integer	-	No
maxsOm	Feature	Continuous	-	No
MDEC-23	Feature	Continuous	-	No
MDEC-22	Feature	Continuous	-	No
MDEC-24	Feature	Continuous	-	No
nFG12HeteroRing	Feature	Integer	-	No
ATS8s	Feature	Continuous	-	No
ATS8v	Feature	Continuous	-	No
SP-6	Feature	Continuous	-	No
SP-7	Feature	Continuous	-	No
SHsNH2	Feature	Continuous	-	No
SP-5	Feature	Continuous	-	No
SP-2	Feature	Continuous	-	No
SP-3	Feature	Continuous	-	No
SP-0	Feature	Continuous	-	No
SP-1	Feature	Continuous	-	No
minHsOH	Feature	Continuous	-	No
ATSC8v	Feature	Continuous	-	No
MATS2v	Feature	Continuous	-	No
ATSC8s	Feature	Continuous	-	No
MATS2p	Feature	Continuous	-	No
MATS2s	Feature	Continuous	-	No
ATSC8p	Feature	Continuous	-	No
MATS2e	Feature	Continuous	-	No
ATSC8e	Feature	Continuous	-	No
ATSC8c	Feature	Continuous	-	No
MATS2c	Feature	Continuous	-	No
MATS2m	Feature	Continuous	-	No
topoDiameter	Feature	Integer	-	No
ATSC8m	Feature	Continuous	-	No
MATS2i	Feature	Continuous	-	No
ATSC8i	Feature	Continuous	-	No
ntN	Feature	Integer	-	No
khs.ssCH2	Feature	Integer	-	No
SpAD_Dt	Feature	Continuous	-	No
ETA_Eta_R_L	Feature	Continuous	-	No
SHdsCH	Feature	Continuous	-	No
SaasN	Feature	Continuous	-	No
SC-4	Feature	Continuous	-	No
SaasC	Feature	Continuous	-	No
minaaCH	Feature	Continuous	-	No
AATSC3c	Feature	Continuous	-	No
AATSC3e	Feature	Continuous	-	No
AATSC3i	Feature	Continuous	-	No
AATSC3m	Feature	Continuous	-	No
AATSC3s	Feature	Continuous	-	No
AATSC3p	Feature	Continuous	-	No
AATSC3v	Feature	Continuous	-	No
SpMax2_Bhp	Feature	Continuous	-	No
nF8HeteroRing	Feature	Integer	-	No
AATS8e	Feature	Continuous	-	No
AATS8i	Feature	Continuous	-	No
AATS8m	Feature	Continuous	-	No
AATS8s	Feature	Continuous	-	No
AATS8p	Feature	Continuous	-	No
AATS8v	Feature	Continuous	-	No
VE3_Dt	Feature	Continuous	-	No
XLogP	Feature	Continuous	-	No
SpMax2_Bhi	Feature	Continuous	-	No
maxssCH2	Feature	Continuous	-	No
minaaS	Feature	Continuous	-	No
SpMax4_Bhv	Feature	Continuous	-	No
SpMax4_Bhs	Feature	Continuous	-	No
SpMax4_Bhp	Feature	Continuous	-	No
SpMax4_Bhm	Feature	Continuous	-	No
minHaaNH	Feature	Continuous	-	No
SpMax4_Bhi	Feature	Continuous	-	No
minaaN	Feature	Continuous	-	No
SpMax4_Bhe	Feature	Continuous	-	No
StsC	Feature	Continuous	-	No
SssCH2	Feature	Continuous	-	No
maxHdNH	Feature	Continuous	-	No
MATS1p	Feature	Continuous	-	No
R_TpiPCTPC	Feature	Continuous	-	No
MATS1s	Feature	Continuous	-	No
MATS1v	Feature	Continuous	-	No
JGI10	Feature	Continuous	-	No
MATS1c	Feature	Continuous	-	No
MATS1e	Feature	Continuous	-	No
VR2_DzZ	Feature	Continuous	-	No
MATS1i	Feature	Continuous	-	No
MATS1m	Feature	Continuous	-	No
MDEC-34	Feature	Continuous	-	No
MDEC-33	Feature	Continuous	-	No
VR2_Dze	Feature	Continuous	-	No
VR2_Dzm	Feature	Continuous	-	No
VR2_Dzs	Feature	Continuous	-	No
VR2_Dzp	Feature	Continuous	-	No
khs.ssssC	Feature	Integer	-	No
nTG12Ring	Feature	Integer	-	No
khs.ssssN	Feature	Integer	-	No
ATS5e	Feature	Continuous	-	No
gmin	Feature	Continuous	-	No
VR2_D	Feature	Continuous	-	No
ATS5m	Feature	Continuous	-	No
ATS5p	Feature	Continuous	-	No
ATS5s	Feature	Continuous	-	No
ATS5v	Feature	Continuous	-	No
AATSC5p	Feature	Continuous	-	No
TpiPC	Feature	Continuous	-	No
maxsCH3	Feature	Continuous	-	No
SdS	Feature	Integer	-	No
khs.ssO	Feature	Integer	-	No
ETA_Eta_F_L	Feature	Continuous	-	No
khs.ssS	Feature	Integer	-	No
SdO	Feature	Continuous	-	No
VE2_Dt	Feature	Continuous	-	No
maxHtCH	Feature	Integer	-	No
SpMax_Dze	Feature	Continuous	-	No
SpMax_Dzm	Feature	Continuous	-	No
SpMax_Dzi	Feature	Continuous	-	No
ETA_dEpsilon_B	Feature	Continuous	-	No
SpMax_Dzv	Feature	Continuous	-	No
ETA_dEpsilon_A	Feature	Continuous	-	No
SpMax_Dzs	Feature	Continuous	-	No
ETA_dEpsilon_D	Feature	Continuous	-	No
SpMax_Dzp	Feature	Continuous	-	No
SsNH2	Feature	Integer	-	No
StCH	Feature	Continuous	-	No
SsCH3	Feature	Continuous	-	No
CIC5	Feature	Continuous	-	No
CIC4	Feature	Continuous	-	No
CIC1	Feature	Continuous	-	No
CIC0	Feature	Continuous	-	No
CIC3	Feature	Continuous	-	No
CIC2	Feature	Continuous	-	No
nF10HeteroRing	Feature	Integer	-	No
maxssO	Feature	Continuous	-	No
WPOL	Feature	Integer	-	No
n5HeteroRing	Feature	Integer	-	No
maxHAvin	Feature	Continuous	-	No
fragC	Feature	Continuous	-	No
ETA_Eta_B_RC	Feature	Continuous	-	No
AATS7m	Feature	Continuous	-	No
SpDiam_Dt	Feature	Continuous	-	No
SdssC	Feature	Continuous	-	No
ETA_Epsilon_3	Feature	Continuous	-	No
AATS7i	Feature	Continuous	-	No
AATS7e	Feature	Continuous	-	No
nT9Ring	Feature	Integer	-	No
minsCl	Feature	Continuous	-	No
AATS7v	Feature	Continuous	-	No
AATS7s	Feature	Continuous	-	No
AATS7p	Feature	Continuous	-	No
nHdCH2	Feature	Integer	-	No
ETA_Epsilon_5	Feature	Continuous	-	No
ETA_Epsilon_4	Feature	Continuous	-	No
SsssCH	Feature	Continuous	-	No
maxHsOH	Feature	Continuous	-	No
GATS1v	Feature	Continuous	-	No
maxaaaC	Feature	Continuous	-	No
GATS1s	Feature	Continuous	-	No
minsNH2	Feature	Continuous	-	No
BIC4	Feature	Continuous	-	No
SpMin7_Bhs	Feature	Continuous	-	No
SpMin7_Bhp	Feature	Continuous	-	No
SpMin7_Bhv	Feature	Continuous	-	No
nHtCH	Feature	Integer	-	No
GATS1e	Feature	Continuous	-	No
mintsC	Feature	Continuous	-	No
GATS1c	Feature	Continuous	-	No
SpMin7_Bhm	Feature	Continuous	-	No
GATS1m	Feature	Continuous	-	No
SpMin7_Bhe	Feature	Continuous	-	No
GATS1i	Feature	Continuous	-	No
maxtsC	Feature	Continuous	-	No
minHAvin	Feature	Continuous	-	No
MDEC-44	Feature	Continuous	-	No
AATS2v	Feature	Continuous	-	No
SPC-6	Feature	Continuous	-	No
SPC-4	Feature	Continuous	-	No
SPC-5	Feature	Continuous	-	No
SpAD_D	Feature	Continuous	-	No
MATS6c	Feature	Continuous	-	No
ETA_BetaP_s	Feature	Continuous	-	No
minaasC	Feature	Continuous	-	No
minaasN	Feature	Continuous	-	No
minssNH	Feature	Continuous	-	No
nT7HeteroRing	Feature	Integer	-	No
RotBFrac	Feature	Continuous	-	No
nF10Ring	Feature	Integer	-	No
ETA_BetaP_ns	Feature	Continuous	-	No
nH	Feature	Integer	-	No
nL	Feature	Integer	-	No
nN	Feature	Integer	-	No
nO	Feature	Integer	-	No
nA	Feature	Integer	-	No
nC	Feature	Integer	-	No
nF	Feature	Integer	-	No
nX	Feature	Integer	-	No
nQ	Feature	Integer	-	No
nS	Feature	Integer	-	No
nV	Feature	Integer	-	No
ATS1m	Feature	Continuous	-	No
SdNH	Feature	Continuous	-	No
mindsN	Feature	Continuous	-	No
SHCsats	Feature	Continuous	-	No
SHCsatu	Feature	Continuous	-	No
CrippenMR	Feature	Continuous	-	No
GATS1p	Feature	Continuous	-	No
SRW10	Feature	Continuous	-	No
ETA_dPsi_A	Feature	Continuous	-	No
AATS6m	Feature	Continuous	-	No
AATS6i	Feature	Continuous	-	No
AATS6e	Feature	Continuous	-	No
minsBr	Feature	Continuous	-	No
nF9HeteroRing	Feature	Integer	-	No
SpMin7_Bhi	Feature	Continuous	-	No
AATS6v	Feature	Continuous	-	No
AATS6p	Feature	Continuous	-	No
AATS6s	Feature	Continuous	-	No
naAromAtom	Feature	Integer	-	No
nBase	Feature	Integer	-	No
minHBint10	Feature	Continuous	-	No
SpDiam_DzZ	Feature	Continuous	-	No
SaaNH	Feature	Continuous	-	No
nssssC	Feature	Integer	-	No
khs.dNH	Feature	Integer	-	No
maxaaN	Feature	Continuous	-	No
maxaaO	Feature	Continuous	-	No
SpDiam_Dzv	Feature	Continuous	-	No
SpDiam_Dzs	Feature	Continuous	-	No
SpDiam_Dzp	Feature	Continuous	-	No
SpDiam_Dze	Feature	Continuous	-	No
SpDiam_Dzm	Feature	Continuous	-	No
GATS6i	Feature	Continuous	-	No
SpDiam_Dzi	Feature	Continuous	-	No
Mi	Feature	Continuous	-	No
Mv	Feature	Continuous	-	No
Mp	Feature	Continuous	-	No
GGI10	Feature	Continuous	-	No
nBr	Feature	Integer	-	No
bpol	Feature	Continuous	-	No
MW	Feature	Continuous	-	No
GATS6v	Feature	Continuous	-	No
MATS7s	Feature	Continuous	-	No
MATS7p	Feature	Continuous	-	No
C1SP1	Feature	Integer	-	No
MATS7v	Feature	Continuous	-	No
MATS7i	Feature	Continuous	-	No
MATS7m	Feature	Continuous	-	No
MATS7c	Feature	Continuous	-	No
GATS6s	Feature	Continuous	-	No
MATS7e	Feature	Continuous	-	No
maxtN	Feature	Continuous	-	No
SpMin8_Bhe	Feature	Continuous	-	No
SpMin8_Bhi	Feature	Continuous	-	No
SpMin8_Bhm	Feature	Continuous	-	No
SpMin8_Bhp	Feature	Continuous	-	No
SpMin8_Bhs	Feature	Continuous	-	No
SpMin8_Bhv	Feature	Continuous	-	No
maxHCsatu	Feature	Continuous	-	No
maxHCsats	Feature	Continuous	-	No
ATSC3v	Feature	Continuous	-	No
ATSC3s	Feature	Continuous	-	No
ATSC3p	Feature	Continuous	-	No
minHdCH2	Feature	Continuous	-	No
ATSC3e	Feature	Continuous	-	No
ATSC3c	Feature	Continuous	-	No
maxssNH	Feature	Continuous	-	No
ATSC3m	Feature	Continuous	-	No
ATSC3i	Feature	Continuous	-	No
minHCsatu	Feature	Continuous	-	No
minHCsats	Feature	Continuous	-	No
SpMax7_Bhe	Feature	Continuous	-	No
SpMax7_Bhi	Feature	Continuous	-	No
SpMax7_Bhm	Feature	Continuous	-	No
ETA_BetaP_ns_d	Feature	Continuous	-	No
SpMax7_Bhp	Feature	Continuous	-	No
SpMax7_Bhs	Feature	Continuous	-	No
SpMax7_Bhv	Feature	Continuous	-	No
SdsCH	Feature	Continuous	-	No
minssO	Feature	Continuous	-	No
minssS	Feature	Continuous	-	No
SpMin3_Bhe	Feature	Continuous	-	No
SpMin3_Bhm	Feature	Continuous	-	No
SpMin3_Bhi	Feature	Continuous	-	No
SpMin3_Bhv	Feature	Continuous	-	No
nT8Ring	Feature	Integer	-	No
SpMin3_Bhs	Feature	Continuous	-	No
SpMin3_Bhp	Feature	Continuous	-	No
TPC	Feature	Integer	-	No
khs.tCH	Feature	Integer	-	No
VP-5	Feature	Continuous	-	No
VP-4	Feature	Continuous	-	No
VP-7	Feature	Continuous	-	No
VP-6	Feature	Continuous	-	No
VP-1	Feature	Continuous	-	No
VP-0	Feature	Continuous	-	No
VP-3	Feature	Continuous	-	No
VP-2	Feature	Continuous	-	No
MIC5	Feature	Continuous	-	No
MIC4	Feature	Continuous	-	No
MIC3	Feature	Continuous	-	No
MIC2	Feature	Continuous	-	No
MIC1	Feature	Continuous	-	No
MIC0	Feature	Continuous	-	No
ATSC5p	Feature	Continuous	-	No
piPC10	Feature	Continuous	-	No
ATSC5s	Feature	Continuous	-	No
minsOm	Feature	Continuous	-	No
nT10HeteroRing	Feature	Integer	-	No
nHBa	Feature	Integer	-	No
nHBd	Feature	Integer	-	No
SddssS	Feature	Continuous	-	No
nCl	Feature	Integer	-	No
minsOH	Feature	Continuous	-	No
SHaaCH	Feature	Continuous	-	No
nHBDon	Feature	Integer	-	No
nF11HeteroRing	Feature	Integer	-	No
AATS5i	Feature	Continuous	-	No
AATS5m	Feature	Continuous	-	No
SpMin6_Bhs	Feature	Continuous	-	No
SpMin6_Bhp	Feature	Continuous	-	No
SpMin6_Bhv	Feature	Continuous	-	No
AATS5e	Feature	Continuous	-	No
ETA_dBeta	Feature	Continuous	-	No
khs.sCH3	Feature	Integer	-	No
ALogP	Feature	Continuous	-	No
SpMin6_Bhm	Feature	Continuous	-	No
BCUTp-1l	Feature	Continuous	-	No
AATS5s	Feature	Continuous	-	No
BCUTp-1h	Feature	Continuous	-	No
AATS5v	Feature	Continuous	-	No
SpMin6_Bhe	Feature	Continuous	-	No
ATS8i	Feature	Continuous	-	No
ATS8m	Feature	Continuous	-	No
BCUTw-1h	Feature	Continuous	-	No
BCUTw-1l	Feature	Continuous	-	No
nBondsS3	Feature	Integer	-	No
nBondsS2	Feature	Integer	-	No
ATS8p	Feature	Continuous	-	No
GATS3p	Feature	Continuous	-	No
GATS3s	Feature	Continuous	-	No
GATS3v	Feature	Continuous	-	No
GATS3c	Feature	Continuous	-	No
GATS3e	Feature	Continuous	-	No
SC-5	Feature	Continuous	-	No
GATS3i	Feature	Continuous	-	No
SC-6	Feature	Continuous	-	No
GATS3m	Feature	Continuous	-	No
SC-3	Feature	Continuous	-	No
minsCH3	Feature	Continuous	-	No
SssssC	Feature	Continuous	-	No
nAtomLC	Feature	Integer	-	No
nT12HeteroRing	Feature	Integer	-	No
minHaaCH	Feature	Continuous	-	No
MLFER_BH	Feature	Continuous	-	No
MLFER_BO	Feature	Continuous	-	No
SaaaC	Feature	Continuous	-	No
mindsCH	Feature	Continuous	-	No
nddssS	Feature	Integer	-	No
maxaasC	Feature	Continuous	-	No
maxsssN	Feature	Continuous	-	No
MATS6p	Feature	Continuous	-	No
MATS6s	Feature	Continuous	-	No
MATS6v	Feature	Continuous	-	No
MATS6i	Feature	Continuous	-	No
MATS6m	Feature	Continuous	-	No
MATS6e	Feature	Continuous	-	No
ETA_Beta_ns_d	Feature	Continuous	-	No
hmax	Feature	Continuous	-	No
ETA_Beta_s	Feature	Continuous	-	No
nHaaCH	Feature	Integer	-	No
khs.aaaC	Feature	Integer	-	No
khs.sNH2	Feature	Integer	-	No
ETA_AlphaP	Feature	Continuous	-	No
nAromBond	Feature	Integer	-	No
ATSC2v	Feature	Continuous	-	No
ATSC2p	Feature	Continuous	-	No
ATSC2s	Feature	Continuous	-	No
ATS4v	Feature	Continuous	-	No
ATSC2e	Feature	Continuous	-	No
ATSC2c	Feature	Continuous	-	No
ATSC2m	Feature	Continuous	-	No
ATSC2i	Feature	Continuous	-	No
AATS4v	Feature	Continuous	-	No
AATS4s	Feature	Continuous	-	No
AATS4p	Feature	Continuous	-	No
AATS4e	Feature	Continuous	-	No
ETA_BetaP	Feature	Continuous	-	No
AATS4m	Feature	Continuous	-	No
khs.sOH	Feature	Integer	-	No
AATS4i	Feature	Continuous	-	No
SHsOH	Feature	Continuous	-	No
SpMax_D	Feature	Continuous	-	No
MDEN-13	Feature	Continuous	-	No
MDEN-12	Feature	Continuous	-	No
MDEN-11	Feature	Continuous	-	No
ntsC	Feature	Integer	-	No
ATS3m	Feature	Continuous	-	No
PetitjeanNumber	Feature	Continuous	-	No
khs.aasN	Feature	Integer	-	No
khs.aasC	Feature	Integer	-	No
MWC10	Feature	Continuous	-	No
MPC7	Feature	Integer	-	No
TWC	Feature	Continuous	-	No
topoRadius	Feature	Integer	-	No
WPATH	Feature	Integer	-	No
nG	Feature	Integer	-	No
ndsN	Feature	Integer	-	No
MAXDP	Feature	Continuous	-	No
naaaC	Feature	Integer	-	No
SM1_DzZ	Feature	Continuous	-	No
SpAbs_DzZ	Feature	Continuous	-	No
SpAbs_Dze	Feature	Continuous	-	No
khs.aaNH	Feature	Integer	-	No
SpAbs_Dzm	Feature	Continuous	-	No
SM1_Dzv	Feature	Continuous	-	No
SpAbs_Dzi	Feature	Continuous	-	No
SM1_Dzp	Feature	Continuous	-	No
SM1_Dzs	Feature	Continuous	-	No
SM1_Dzm	Feature	Continuous	-	No
SpAbs_Dzv	Feature	Continuous	-	No
SM1_Dzi	Feature	Continuous	-	No
SpAbs_Dzp	Feature	Continuous	-	No
SpAbs_Dzs	Feature	Continuous	-	No
SM1_Dze	Feature	Continuous	-	No
maxaaCH	Feature	Continuous	-	No
maxdO	Feature	Continuous	-	No
nF11Ring	Feature	Integer	-	No
GATS2v	Feature	Continuous	-	No
GATS2s	Feature	Continuous	-	No
ETA_Beta	Feature	Continuous	-	No
GATS2m	Feature	Continuous	-	No
GATS2i	Feature	Continuous	-	No
maxdS	Feature	Continuous	-	No
GATS2e	Feature	Continuous	-	No
GATS2c	Feature	Continuous	-	No
nHaaNH	Feature	Integer	-	No
ATSC1p	Feature	Continuous	-	No
ATSC1s	Feature	Continuous	-	No
ATSC1v	Feature	Continuous	-	No
ATSC1c	Feature	Continuous	-	No
ATSC1e	Feature	Continuous	-	No
ATSC1i	Feature	Continuous	-	No
ATSC1m	Feature	Continuous	-	No
MWC9	Feature	Continuous	-	No
MWC8	Feature	Continuous	-	No
MWC5	Feature	Continuous	-	No
MWC4	Feature	Continuous	-	No
MWC7	Feature	Continuous	-	No
MWC6	Feature	Continuous	-	No
ndssC	Feature	Integer	-	No
MWC2	Feature	Continuous	-	No
MAXDN2	Feature	Continuous	-	No
MATS5e	Feature	Continuous	-	No
SpMin2_Bhe	Feature	Continuous	-	No
MATS5c	Feature	Continuous	-	No
MATS5m	Feature	Continuous	-	No
SpMin2_Bhm	Feature	Continuous	-	No
MATS5i	Feature	Continuous	-	No
SpMin2_Bhi	Feature	Continuous	-	No
SpMin2_Bhv	Feature	Continuous	-	No
MATS5v	Feature	Continuous	-	No
MATS5p	Feature	Continuous	-	No
SpMin2_Bhs	Feature	Continuous	-	No
SpMin2_Bhp	Feature	Continuous	-	No
VE1_Dzi	Feature	Continuous	-	No
Mare	Feature	Continuous	-	No
BCUTc-1l	Feature	Continuous	-	No
BCUTc-1h	Feature	Continuous	-	No
SssNH	Feature	Continuous	-	No
MPC9	Feature	Integer	-	No
VE1_Dzp	Feature	Continuous	-	No
naaN	Feature	Integer	-	No
naaO	Feature	Integer	-	No
naaS	Feature	Integer	-	No
SsBr	Feature	Continuous	-	No
SHBd	Feature	Continuous	-	No
TSRW	Feature	Continuous	-	No
SHBa	Feature	Continuous	-	No
khs.ssNH	Feature	Integer	-	No
nT9HeteroRing	Feature	Integer	-	No
SpMax6_Bhp	Feature	Continuous	-	No
SpMax6_Bhs	Feature	Continuous	-	No
SpMAD_Dzv	Feature	Continuous	-	No
SpMax6_Bhv	Feature	Continuous	-	No
SpMax6_Bhe	Feature	Continuous	-	No
SpMAD_Dze	Feature	Continuous	-	No
SpMax6_Bhi	Feature	Continuous	-	No
SpMAD_Dzi	Feature	Continuous	-	No
SpMax6_Bhm	Feature	Continuous	-	No
SpMAD_Dzm	Feature	Continuous	-	No
SpMAD_DzZ	Feature	Continuous	-	No
AATSC8s	Feature	Continuous	-	No
AATSC8p	Feature	Continuous	-	No
AATSC8v	Feature	Continuous	-	No
minHssNH	Feature	Continuous	-	No
AATSC8c	Feature	Continuous	-	No
AATSC8e	Feature	Continuous	-	No
AATSC8i	Feature	Continuous	-	No
AATSC8m	Feature	Continuous	-	No
AATS3s	Feature	Continuous	-	No
AATS3p	Feature	Continuous	-	No
AATS3v	Feature	Continuous	-	No
SpMin5_Bhv	Feature	Continuous	-	No
SpMin5_Bhp	Feature	Continuous	-	No
SpMin5_Bhs	Feature	Continuous	-	No
SpMin5_Bhm	Feature	Continuous	-	No
SpMin5_Bhi	Feature	Continuous	-	No
AATS3e	Feature	Continuous	-	No
SpMin5_Bhe	Feature	Continuous	-	No
AATS3i	Feature	Continuous	-	No
SpMAD_Dzs	Feature	Continuous	-	No
AATS3m	Feature	Continuous	-	No
n7Ring	Feature	Integer	-	No
maxdCH2	Feature	Integer	-	No
MLFER_L	Feature	Continuous	-	No
GATS5s	Feature	Continuous	-	No
GATS5p	Feature	Continuous	-	No
GATS5v	Feature	Continuous	-	No
MLFER_A	Feature	Continuous	-	No
GATS5i	Feature	Continuous	-	No
GATS5m	Feature	Continuous	-	No
IC3	Feature	Continuous	-	No
IC2	Feature	Continuous	-	No
IC1	Feature	Continuous	-	No
IC0	Feature	Continuous	-	No
khs.tN	Feature	Integer	-	No
IC5	Feature	Continuous	-	No
IC4	Feature	Continuous	-	No
ETA_Eta_R	Feature	Continuous	-	No
ETA_Eta_L	Feature	Continuous	-	No
SHdCH2	Feature	Continuous	-	No
ETA_Eta_B	Feature	Continuous	-	No
ETA_Eta_F	Feature	Continuous	-	No
SaaCH	Feature	Continuous	-	No
nAcid	Feature	Integer	-	No
maxsssCH	Feature	Continuous	-	No
SsCl	Feature	Continuous	-	No
nF6Ring	Feature	Integer	-	No
maxsF	Feature	Continuous	-	No
MATS4c	Feature	Continuous	-	No
MATS4e	Feature	Continuous	-	No
MATS4i	Feature	Continuous	-	No
SP-4	Feature	Continuous	-	No
MATS4m	Feature	Continuous	-	No
MATS4s	Feature	Continuous	-	No
MATS4p	Feature	Continuous	-	No
MATS4v	Feature	Continuous	-	No
minHdNH	Feature	Integer	-	No
VC-6	Feature	Continuous	-	No
SsssN	Feature	Continuous	-	No
minaaaC	Feature	Continuous	-	No
minwHBa	Feature	Continuous	-	No
nT6HeteroRing	Feature	Integer	-	No
khs.dssC	Feature	Integer	-	No
AATSC0m	Feature	Continuous	-	No
EE_Dt	Feature	Continuous	-	No
minsF	Feature	Continuous	-	No
ATSC0v	Feature	Continuous	-	No
ATSC0s	Feature	Continuous	-	No
ATSC0p	Feature	Continuous	-	No
ATSC0m	Feature	Continuous	-	No
ATSC0i	Feature	Continuous	-	No
ATSC0e	Feature	Continuous	-	No
ATSC0c	Feature	Continuous	-	No
VE2_D	Feature	Continuous	-	No
SpMAD_D	Feature	Continuous	-	No
nHBint2	Feature	Integer	-	No
nHBint3	Feature	Integer	-	No
ETA_Epsilon_1	Feature	Continuous	-	No
nHBint6	Feature	Integer	-	No
nHBint7	Feature	Integer	-	No
nHBint4	Feature	Integer	-	No
nHBint5	Feature	Integer	-	No
nHBint8	Feature	Integer	-	No
nHBint9	Feature	Integer	-	No
nBondsS	Feature	Integer	-	No
AATS2p	Feature	Continuous	-	No
AATS2s	Feature	Continuous	-	No
nBondsT	Feature	Integer	-	No
AATS2e	Feature	Continuous	-	No
nBondsD	Feature	Integer	-	No
AATS2i	Feature	Continuous	-	No
AATS2m	Feature	Continuous	-	No
nBondsM	Feature	Integer	-	No
nBonds2	Feature	Integer	-	No
MDEN-33	Feature	Continuous	-	No
Sp	Feature	Continuous	-	No
Sv	Feature	Continuous	-	No
Si	Feature	Continuous	-	No
FMF	Feature	Continuous	-	No
nRotB	Feature	Integer	-	No
n7HeteroRing	Feature	Integer	-	No
minssssC	Feature	Continuous	-	No
SwHBa	Feature	Continuous	-	No
Zagreb	Feature	Integer	-	No
SRW6	Feature	Continuous	-	No
SRW7	Feature	Continuous	-	No
SRW4	Feature	Continuous	-	No
SRW5	Feature	Continuous	-	No
SRW2	Feature	Continuous	-	No
khs.sCl	Feature	Integer	-	No
SRW8	Feature	Continuous	-	No
SRW9	Feature	Continuous	-	No
maxHsNH2	Feature	Continuous	-	No
SCH-5	Feature	Continuous	-	No
SCH-6	Feature	Continuous	-	No
SCH-7	Feature	Continuous	-	No
khs.sF	Feature	Integer	-	No
nF9Ring	Feature	Integer	-	No
ATS6p	Feature	Continuous	-	No
maxaasN	Feature	Continuous	-	No
MAXDP2	Feature	Continuous	-	No
minHtCH	Feature	Integer	-	No
nsNH2	Feature	Integer	-	No
nFG12Ring	Feature	Integer	-	No
VE1_DzZ	Feature	Continuous	-	No
VE1_Dze	Feature	Continuous	-	No
GATS4p	Feature	Continuous	-	No
GATS4s	Feature	Continuous	-	No
VE1_Dzm	Feature	Continuous	-	No
GATS4v	Feature	Continuous	-	No
GATS4i	Feature	Continuous	-	No
VE1_Dzs	Feature	Continuous	-	No
GATS4m	Feature	Continuous	-	No
ndsCH	Feature	Integer	-	No
VE1_Dzv	Feature	Continuous	-	No
GATS4c	Feature	Continuous	-	No
GATS4e	Feature	Continuous	-	No
ETA_Beta_ns	Feature	Continuous	-	No
McGowan_Volume	Feature	Continuous	-	No
n5Ring	Feature	Integer	-	No
ETA_dAlpha_B	Feature	Continuous	-	No
ATSC7s	Feature	Continuous	-	No
ATSC7p	Feature	Continuous	-	No
ETA_dAlpha_A	Feature	Continuous	-	No
ATSC7v	Feature	Continuous	-	No
ATSC7i	Feature	Continuous	-	No
ATSC7m	Feature	Continuous	-	No
ATSC7c	Feature	Continuous	-	No
VC-4	Feature	Continuous	-	No
VC-5	Feature	Continuous	-	No
VC-3	Feature	Continuous	-	No
ATSC7e	Feature	Continuous	-	No
maxssssNp	Feature	Continuous	-	No
JGI1	Feature	Continuous	-	No
JGI6	Feature	Continuous	-	No
JGI7	Feature	Continuous	-	No
JGI4	Feature	Continuous	-	No
JGI5	Feature	Continuous	-	No
JGI8	Feature	Continuous	-	No
JGI9	Feature	Continuous	-	No
SpAD_DzZ	Feature	Continuous	-	No
SpAD_Dze	Feature	Continuous	-	No
SpAD_Dzm	Feature	Continuous	-	No
SpAD_Dzi	Feature	Continuous	-	No
SpAD_Dzv	Feature	Continuous	-	No
SpAD_Dzp	Feature	Continuous	-	No
SpAD_Dzs	Feature	Continuous	-	No
nsssCH	Feature	Integer	-	No
nBonds	Feature	Integer	-	No
LipinskiFailures	Feature	Integer	-	No
SpDiam_D	Feature	Continuous	-	No
minHdsCH	Feature	Continuous	-	No
SssO	Feature	Continuous	-	No
SssS	Feature	Continuous	-	No
C2SP3	Feature	Integer	-	No
C2SP2	Feature	Integer	-	No
C2SP1	Feature	Integer	-	No
GATS2p	Feature	Continuous	-	No
ETA_Shape_X	Feature	Continuous	-	No
ETA_Shape_Y	Feature	Continuous	-	No
ETA_Shape_P	Feature	Continuous	-	No
naaNH	Feature	Integer	-	No
khs.dCH2	Feature	Integer	-	No
AVP-5	Feature	Continuous	-	No
AVP-4	Feature	Continuous	-	No
AVP-7	Feature	Continuous	-	No
AVP-1	Feature	Continuous	-	No
AVP-0	Feature	Continuous	-	No
AVP-2	Feature	Continuous	-	No
AATS1v	Feature	Continuous	-	No
AATS1p	Feature	Continuous	-	No
AATS1s	Feature	Continuous	-	No
AATS1m	Feature	Continuous	-	No
MDEN-22	Feature	Continuous	-	No
AATS1i	Feature	Continuous	-	No
AATS1e	Feature	Continuous	-	No
maxaaNH	Feature	Continuous	-	No
maxHaaNH	Feature	Continuous	-	No
nT8HeteroRing	Feature	Integer	-	No
GATS7c	Feature	Continuous	-	No
GATS7m	Feature	Continuous	-	No
GATS7v	Feature	Continuous	-	No
GATS7p	Feature	Continuous	-	No
GATS7s	Feature	Continuous	-	No
SsOm	Feature	Continuous	-	No
SsOH	Feature	Continuous	-	No
AATSC4v	Feature	Continuous	-	No
maxHBd	Feature	Continuous	-	No
AATSC4s	Feature	Continuous	-	No
khs.sBr	Feature	Integer	-	No
maxHBa	Feature	Continuous	-	No
khs.dsN	Feature	Integer	-	No
SHssNH	Feature	Continuous	-	No
AATSC4e	Feature	Continuous	-	No
AATSC4c	Feature	Continuous	-	No
AATSC4m	Feature	Continuous	-	No
AATSC4i	Feature	Continuous	-	No
SHBint10	Feature	Continuous	-	No
ATS2v	Feature	Continuous	-	No
ATS2p	Feature	Continuous	-	No
ATS2s	Feature	Continuous	-	No
CrippenLogP	Feature	Continuous	-	No
ATS2i	Feature	Continuous	-	No
JGT	Feature	Continuous	-	No
MPC10	Feature	Integer	-	No
ndNH	Feature	Integer	-	No
VAdjMat	Feature	Continuous	-	No
khs.ddssS	Feature	Integer	-	No
nT7Ring	Feature	Integer	-	No
AATSC7e	Feature	Continuous	-	No
khs.dsCH	Feature	Integer	-	No
ATSC6p	Feature	Continuous	-	No
ATSC6s	Feature	Continuous	-	No
ATSC6v	Feature	Continuous	-	No
ATSC6i	Feature	Continuous	-	No
ATSC6m	Feature	Continuous	-	No
ATSC6c	Feature	Continuous	-	No
ATSC6e	Feature	Continuous	-	No
SpMin1_Bhi	Feature	Continuous	-	No
SpMin1_Bhm	Feature	Continuous	-	No
SpMin1_Bhp	Feature	Continuous	-	No
SpMin1_Bhs	Feature	Continuous	-	No
nT11HeteroRing	Feature	Integer	-	No
SpMin1_Bhv	Feature	Continuous	-	No
SHother	Feature	Continuous	-	No
AATS0s	Feature	Continuous	-	No
SpMin4_Bhv	Feature	Continuous	-	No
AATS0p	Feature	Continuous	-	No
SpMin4_Bhp	Feature	Continuous	-	No
AATS0v	Feature	Continuous	-	No
SpMin4_Bhs	Feature	Continuous	-	No
SpMin4_Bhm	Feature	Continuous	-	No
AATS0i	Feature	Continuous	-	No
SpMin4_Bhi	Feature	Continuous	-	No
AATS0m	Feature	Continuous	-	No
minsssCH	Feature	Continuous	-	No
SpMin4_Bhe	Feature	Continuous	-	No
nAtomLAC	Feature	Integer	-	No
AATS0e	Feature	Continuous	-	No
nsCH3	Feature	Integer	-	No
MWC3	Feature	Continuous	-	No
ATSC5v	Feature	Continuous	-	No
MLFER_S	Feature	Continuous	-	No
ETA_dBetaP	Feature	Continuous	-	No
AATSC4p	Feature	Continuous	-	No
nRotBt	Feature	Integer	-	No
nsOm	Feature	Integer	-	No
SHaaNH	Feature	Continuous	-	No
nsOH	Feature	Integer	-	No
AATSC5v	Feature	Continuous	-	No
AATSC5s	Feature	Continuous	-	No
nssssNp	Feature	Integer	-	No
AATSC5e	Feature	Continuous	-	No
naasN	Feature	Integer	-	No
AATSC5c	Feature	Continuous	-	No
AATSC5m	Feature	Continuous	-	No
nsssN	Feature	Integer	-	No
SpMax_Dt	Feature	Continuous	-	No
AATSC5i	Feature	Continuous	-	No
naasC	Feature	Integer	-	No
VR3_D	Feature	Continuous	-	No
VR1_D	Feature	Continuous	-	No
VR1_Dt	Feature	Continuous	-	No
ETA_Epsilon_2	Feature	Continuous	-	No
MLogP	Feature	Continuous	-	No
nHBAcc2	Feature	Integer	-	No
nHBAcc3	Feature	Integer	-	No
AMR	Feature	Continuous	-	No
AMW	Feature	Continuous	-	No
GATS6c	Feature	Continuous	-	No
sumI	Feature	Continuous	-	No
GATS6e	Feature	Continuous	-	No
gmax	Feature	Continuous	-	No
maxHssNH	Feature	Continuous	-	No
MATS5s	Feature	Continuous	-	No
maxsNH2	Feature	Continuous	-	No
GATS6m	Feature	Continuous	-	No
maxHBint8	Feature	Continuous	-	No
maxHBint9	Feature	Continuous	-	No
GATS6p	Feature	Continuous	-	No
C1SP2	Feature	Integer	-	No
C1SP3	Feature	Integer	-	No
khs.tsC	Feature	Integer	-	No
maxHBint2	Feature	Continuous	-	No
maxHBint3	Feature	Continuous	-	No
maxHBint4	Feature	Continuous	-	No
maxHBint5	Feature	Continuous	-	No
maxHBint6	Feature	Continuous	-	No
maxHBint7	Feature	Continuous	-	No
AVP-6	Feature	Continuous	-	No
nHdNH	Feature	Integer	-	No
ATSC5e	Feature	Continuous	-	No
C4SP3	Feature	Integer	-	No
AVP-3	Feature	Continuous	-	No
ATSC5c	Feature	Continuous	-	No
ATSC5m	Feature	Continuous	-	No
nHother	Feature	Integer	-	No
ATSC5i	Feature	Continuous	-	No
VCH-5	Feature	Continuous	-	No
VCH-7	Feature	Continuous	-	No
VCH-6	Feature	Continuous	-	No
Mse	Feature	Continuous	-	No
nsF	Feature	Integer	-	No
DELS2	Feature	Continuous	-	No
MATS8m	Feature	Continuous	-	No
ATS3v	Feature	Continuous	-	No
ATS3s	Feature	Continuous	-	No
ATS3p	Feature	Continuous	-	No
ATS3e	Feature	Continuous	-	No
MATS8i	Feature	Continuous	-	No
Kier2	Feature	Continuous	-	No
Kier3	Feature	Continuous	-	No
Kier1	Feature	Continuous	-	No
HybRatio	Feature	Continuous	-	No
ATS3i	Feature	Continuous	-	No
MDEN-23	Feature	Continuous	-	No
SHBint9	Feature	Continuous	-	No
SHBint8	Feature	Continuous	-	No
SHBint3	Feature	Continuous	-	No
SHBint2	Feature	Continuous	-	No
SHBint7	Feature	Continuous	-	No
SHBint6	Feature	Continuous	-	No
SHBint5	Feature	Continuous	-	No
SHBint4	Feature	Continuous	-	No
DELS	Feature	Continuous	-	No
minHsNH2	Feature	Continuous	-	No
nHeteroRing	Feature	Integer	-	No
GATS7e	Feature	Continuous	-	No
ETA_Psi_1	Feature	Continuous	-	No
mindssC	Feature	Continuous	-	No
nwHBa	Feature	Integer	-	No
maxHBint10	Feature	Continuous	-	No
mindNH	Feature	Integer	-	No
GATS7i	Feature	Continuous	-	No
nHssNH	Feature	Integer	-	No
nAtom	Feature	Integer	-	No
Spe	Feature	Continuous	-	No
khs.dS	Feature	Integer	-	No
khs.dO	Feature	Integer	-	No
maxwHBa	Feature	Continuous	-	No
AATSC6p	Feature	Continuous	-	No
AATSC6s	Feature	Continuous	-	No
AATSC6v	Feature	Continuous	-	No
AATSC6c	Feature	Continuous	-	No
AATSC6e	Feature	Continuous	-	No
AATSC6i	Feature	Continuous	-	No
AATSC6m	Feature	Continuous	-	No
SssssNp	Feature	Continuous	-	No
AATSC7c	Feature	Continuous	-	No
nssCH2	Feature	Integer	-	No
ASP-2	Feature	Continuous	-	No
ASP-3	Feature	Continuous	-	No
ASP-0	Feature	Continuous	-	No
ASP-1	Feature	Continuous	-	No
ASP-6	Feature	Continuous	-	No
ASP-7	Feature	Continuous	-	No
ASP-4	Feature	Continuous	-	No
ASP-5	Feature	Continuous	-	No
ATS0s	Feature	Continuous	-	No
MATS8v	Feature	Continuous	-	No
ATS0p	Feature	Continuous	-	No
MATS8s	Feature	Continuous	-	No
ATS0v	Feature	Continuous	-	No
MATS8p	Feature	Continuous	-	No
MATS8e	Feature	Continuous	-	No
MATS8c	Feature	Continuous	-	No
ATS0e	Feature	Continuous	-	No
ATS0i	Feature	Continuous	-	No
ATS0m	Feature	Continuous	-	No
GGI9	Feature	Continuous	-	No
GGI8	Feature	Continuous	-	No
GGI1	Feature	Continuous	-	No
GGI3	Feature	Continuous	-	No
GGI2	Feature	Continuous	-	No
GGI5	Feature	Continuous	-	No
GGI4	Feature	Continuous	-	No
GGI7	Feature	Continuous	-	No
GGI6	Feature	Continuous	-	No
nTRing	Feature	Integer	-	No
nT10Ring	Feature	Integer	-	No
TIC0	Feature	Continuous	-	No
TIC1	Feature	Continuous	-	No
TIC2	Feature	Continuous	-	No
TIC3	Feature	Continuous	-	No
TIC4	Feature	Continuous	-	No
TIC5	Feature	Continuous	-	No
maxsCl	Feature	Continuous	-	No
ntCH	Feature	Integer	-	No
khs.aaCH	Feature	Integer	-	No
ZMIC4	Feature	Continuous	-	No
ZMIC5	Feature	Continuous	-	No
ZMIC0	Feature	Continuous	-	No
ZMIC1	Feature	Continuous	-	No
ZMIC2	Feature	Continuous	-	No
ZMIC3	Feature	Continuous	-	No
minHother	Feature	Continuous	-	No
ATSC4c	Feature	Continuous	-	No
ATSC4e	Feature	Continuous	-	No
ATSC4i	Feature	Continuous	-	No
ATSC4m	Feature	Continuous	-	No
ATSC4s	Feature	Continuous	-	No
ATSC4p	Feature	Continuous	-	No
ATSC4v	Feature	Continuous	-	No
SpMax1_Bhs	Feature	Continuous	-	No
SpMax1_Bhp	Feature	Continuous	-	No
SpMax1_Bhv	Feature	Continuous	-	No
hmin	Feature	Continuous	-	No
SpMax1_Bhe	Feature	Continuous	-	No
SpMax1_Bhi	Feature	Continuous	-	No
SpMax1_Bhm	Feature	Continuous	-	No
MPC6	Feature	Integer	-	No
nAtomP	Feature	Integer	-	No
MPC4	Feature	Integer	-	No
MPC5	Feature	Integer	-	No
MPC2	Feature	Integer	-	No
VR3_Dzv	Feature	Continuous	-	No
VR3_Dzs	Feature	Continuous	-	No
MPC8	Feature	Integer	-	No
VR3_Dzp	Feature	Continuous	-	No
VR3_Dzm	Feature	Continuous	-	No
SpMAD_Dzp	Feature	Continuous	-	No
VR3_Dzi	Feature	Continuous	-	No
VR3_Dze	Feature	Continuous	-	No
SsF	Feature	Continuous	-	No
minaaO	Feature	Continuous	-	No
VR3_DzZ	Feature	Continuous	-	No
mintCH	Feature	Continuous	-	No
Sse	Feature	Continuous	-	No
C3SP2	Feature	Integer	-	No
VR1_DzZ	Feature	Continuous	-	No
VR1_Dzp	Feature	Continuous	-	No
VR1_Dzs	Feature	Continuous	-	No
SdCH2	Feature	Continuous	-	No
SHtCH	Feature	Continuous	-	No
VR1_Dzi	Feature	Continuous	-	No
VR1_Dzm	Feature	Continuous	-	No
VR1_Dze	Feature	Continuous	-	No
maxdsN	Feature	Continuous	-	No
AATSC7v	Feature	Continuous	-	No
AATSC7s	Feature	Continuous	-	No
AATSC7p	Feature	Continuous	-	No
AATSC7m	Feature	Continuous	-	No
AATSC7i	Feature	Continuous	-	No
nHdsCH	Feature	Integer	-	No
BIC2	Feature	Continuous	-	No
BIC3	Feature	Continuous	-	No
BIC0	Feature	Continuous	-	No
BIC1	Feature	Continuous	-	No
SIC5	Feature	Continuous	-	No
SIC4	Feature	Continuous	-	No
SIC1	Feature	Continuous	-	No
SIC0	Feature	Continuous	-	No
SIC3	Feature	Continuous	-	No
SIC2	Feature	Continuous	-	No
naaCH	Feature	Integer	-	No
minHBd	Feature	Continuous	-	No
minHBa	Feature	Continuous	-	No
AATSC1p	Feature	Continuous	-	No
nssO	Feature	Integer	-	No
AATSC0i	Feature	Continuous	-	No
ALogp2	Feature	Continuous	-	No
nssS	Feature	Integer	-	No
AATSC1i	Feature	Continuous	-	No
SaaS	Feature	Continuous	-	No
SaaO	Feature	Continuous	-	No
SaaN	Feature	Continuous	-	No
maxsBr	Feature	Integer	-	No
GATS8m	Feature	Continuous	-	No
SpMax2_Bhv	Feature	Continuous	-	No
GATS8i	Feature	Continuous	-	No
SpMax2_Bhs	Feature	Continuous	-	No
GATS8e	Feature	Continuous	-	No
GATS8c	Feature	Continuous	-	No
SpMax2_Bhe	Feature	Continuous	-	No
SpMax2_Bhm	Feature	Continuous	-	No
GATS8v	Feature	Continuous	-	No
GATS8p	Feature	Continuous	-	No
GATS8s	Feature	Continuous	-	No
piPC3	Feature	Continuous	-	No
piPC2	Feature	Continuous	-	No
piPC1	Feature	Continuous	-	No
piPC7	Feature	Continuous	-	No
piPC6	Feature	Continuous	-	No
piPC5	Feature	Continuous	-	No
piPC4	Feature	Continuous	-	No
piPC9	Feature	Continuous	-	No
piPC8	Feature	Continuous	-	No
maxHdsCH	Feature	Continuous	-	No
nT11Ring	Feature	Integer	-	No
ATS1v	Feature	Continuous	-	No
ATS1p	Feature	Continuous	-	No
ATS1s	Feature	Continuous	-	No
ATS1i	Feature	Continuous	-	No
SpMAD_Dt	Feature	Continuous	-	No
ATS1e	Feature	Continuous	-	No
VR2_Dzi	Feature	Continuous	-	No
n6HeteroRing	Feature	Integer	-	No
MPC3	Feature	Integer	-	No
ATS2e	Feature	Continuous	-	No
VR2_Dzv	Feature	Continuous	-	No
minHBint9	Feature	Continuous	-	No
VE2_Dzs	Feature	Continuous	-	No
VE2_Dzp	Feature	Continuous	-	No
VE2_Dzv	Feature	Continuous	-	No
ATS2m	Feature	Continuous	-	No
VE2_Dzi	Feature	Continuous	-	No
VE2_Dzm	Feature	Continuous	-	No
maxtCH	Feature	Integer	-	No
minaaNH	Feature	Continuous	-	No
VE2_Dze	Feature	Continuous	-	No
VE2_DzZ	Feature	Continuous	-	No
nHAvin	Feature	Integer	-	No
meanI	Feature	Continuous	-	No
nHCsatu	Feature	Integer	-	No
nHCsats	Feature	Integer	-	No
apol	Feature	Continuous	-	No
ATS5i	Feature	Continuous	-	No
nF12Ring	Feature	Integer	-	No
mindS	Feature	Integer	-	No
mindO	Feature	Continuous	-	No
MolIP	Feature	Continuous	-	No
maxdsCH	Feature	Continuous	-	No
ndCH2	Feature	Integer	-	No
TopoPSA	Feature	Continuous	-	No
ETA_EtaP_B_RC	Feature	Continuous	-	No
MDEO-11	Feature	Continuous	-	No
MDEO-12	Feature	Continuous	-	No
AATSC0s	Feature	Continuous	-	No
SpMax5_Bhv	Feature	Continuous	-	No
AATSC0p	Feature	Continuous	-	No
SpMax5_Bhs	Feature	Continuous	-	No
AATSC0v	Feature	Continuous	-	No
SpMax5_Bhp	Feature	Continuous	-	No
SpMax5_Bhm	Feature	Continuous	-	No
SpMax5_Bhi	Feature	Continuous	-	No
AATSC0c	Feature	Continuous	-	No
SpMax5_Bhe	Feature	Continuous	-	No
AATSC0e	Feature	Continuous	-	No
EE_D	Feature	Continuous	-	No
VE3_DzZ	Feature	Continuous	-	No
C3SP3	Feature	Integer	-	No
VE3_Dzv	Feature	Continuous	-	No
minddssS	Feature	Continuous	-	No
ATS6s	Feature	Continuous	-	No
VE3_Dzs	Feature	Continuous	-	No
VE3_Dzp	Feature	Continuous	-	No
ATS6v	Feature	Continuous	-	No
ATS6i	Feature	Continuous	-	No
VE3_Dzm	Feature	Continuous	-	No
ATS6m	Feature	Continuous	-	No
VE3_Dzi	Feature	Continuous	-	No
VE3_Dze	Feature	Continuous	-	No
ATS6e	Feature	Continuous	-	No
nTG12HeteroRing	Feature	Integer	-	No
VPC-6	Feature	Continuous	-	No
VPC-5	Feature	Continuous	-	No
VPC-4	Feature	Continuous	-	No
MLFER_E	Feature	Continuous	-	No
nBondsD2	Feature	Integer	-	No
nT12Ring	Feature	Integer	-	No
Mpe	Feature	Continuous	-	No
maxHdCH2	Feature	Continuous	-	No
nT5HeteroRing	Feature	Integer	-	No
nHeavyAtom	Feature	Integer	-	No
nRing	Feature	Integer	-	No
GATS5c	Feature	Continuous	-	No
nF12HeteroRing	Feature	Integer	-	No
GATS5e	Feature	Continuous	-	No
VR1_Dzv	Feature	Continuous	-	No
minsssN	Feature	Continuous	-	No
topoShape	Feature	Continuous	-	No
ndO	Feature	Integer	-	No
ndS	Feature	Integer	-	No
nssNH	Feature	Integer	-	No
VE1_Dt	Feature	Continuous	-	No
maxHaaCH	Feature	Continuous	-	No
nHBAcc	Feature	Integer	-	No
VE3_D	Feature	Continuous	-	No
nsCl	Feature	Integer	-	No
VE1_D	Feature	Continuous	-	No
AATSC1s	Feature	Continuous	-	No
AATSC1v	Feature	Continuous	-	No
AATSC1m	Feature	Continuous	-	No
AATSC1c	Feature	Continuous	-	No
AATSC1e	Feature	Continuous	-	No
LipoaffinityIndex	Feature	Continuous	-	No
n6Ring	Feature	Integer	-	No
ETA_Eta	Feature	Continuous	-	No
WTPT-1	Feature	Continuous	-	No
WTPT-2	Feature	Continuous	-	No
WTPT-3	Feature	Continuous	-	No
WTPT-4	Feature	Continuous	-	No
WTPT-5	Feature	Continuous	-	No
ETA_EtaP_L	Feature	Continuous	-	No
ETA_EtaP_F	Feature	Continuous	-	No
ETA_EtaP_B	Feature	Continuous	-	No
nT5Ring	Feature	Integer	-	No
SHdNH	Feature	Integer	-	No
ETA_dEpsilon_C	Feature	Continuous	-	No
MDEO-22	Feature	Continuous	-	No
Class	Target	Categorical	-	No