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QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4316

deactivated ARFF Publicly available Visibility: public Uploaded 14-07-2016 by James
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This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4316 (TID: 12823), and it has 12 rows and 627 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent Molecular Descriptors which were generated from SMILES strings. Missing value imputation was applied to this dataset (By choosing the Median). Feature selection was also applied.

629 features

pXC50 (target)	numeric	11 unique values 0 missing
molecule_id (row identifier)	nominal	12 unique values 0 missing
BIC3	numeric	10 unique values 0 missing
CATS2D_02_AL	numeric	4 unique values 0 missing
CATS2D_05_DL	numeric	5 unique values 0 missing
CATS2D_07_LL	numeric	9 unique values 0 missing
Eig02_AEA.dm.	numeric	11 unique values 0 missing
Eig04_AEA.dm.	numeric	12 unique values 0 missing
Eig05_AEA.dm.	numeric	11 unique values 0 missing
Eig06_EA	numeric	10 unique values 0 missing
Eig07_AEA.ri.	numeric	12 unique values 0 missing
Eig07_EA.ri.	numeric	12 unique values 0 missing
Eig08_AEA.dm.	numeric	11 unique values 0 missing
Eig08_EA.ri.	numeric	9 unique values 0 missing
GATS2e	numeric	12 unique values 0 missing
GATS3e	numeric	12 unique values 0 missing
GATS3s	numeric	12 unique values 0 missing
GATS3v	numeric	12 unique values 0 missing
GATS4i	numeric	12 unique values 0 missing
GATS5m	numeric	12 unique values 0 missing
GATS6m	numeric	12 unique values 0 missing
GATS6p	numeric	12 unique values 0 missing
GATS6v	numeric	12 unique values 0 missing
GATS8e	numeric	12 unique values 0 missing
GATS8m	numeric	12 unique values 0 missing
IAC	numeric	12 unique values 0 missing
JGI8	numeric	6 unique values 0 missing
MATS2s	numeric	12 unique values 0 missing
MATS3p	numeric	11 unique values 0 missing
MATS3v	numeric	12 unique values 0 missing
MATS5e	numeric	12 unique values 0 missing
MATS6e	numeric	12 unique values 0 missing
MATS8e	numeric	12 unique values 0 missing
nArOR	numeric	3 unique values 0 missing
O.060	numeric	3 unique values 0 missing
P_VSA_LogP_3	numeric	9 unique values 0 missing
P_VSA_s_3	numeric	11 unique values 0 missing
SM13_EA.bo.	numeric	11 unique values 0 missing
SM14_AEA.bo.	numeric	10 unique values 0 missing
SM14_EA.bo.	numeric	11 unique values 0 missing
SM15_EA.bo.	numeric	11 unique values 0 missing
SpMAD_AEA.dm.	numeric	11 unique values 0 missing
SpMAD_AEA.ed.	numeric	10 unique values 0 missing
SpMax3_Bh.p.	numeric	10 unique values 0 missing
SpMax3_Bh.v.	numeric	11 unique values 0 missing
SpMaxA_AEA.ed.	numeric	11 unique values 0 missing
SpMaxA_AEA.ri.	numeric	11 unique values 0 missing
SpMaxA_EA	numeric	11 unique values 0 missing
SpMaxA_EA.ed.	numeric	11 unique values 0 missing
SpMaxA_EA.ri.	numeric	10 unique values 0 missing
SpMin1_Bh.i.	numeric	10 unique values 0 missing
SsCl	numeric	4 unique values 0 missing
TIC0	numeric	12 unique values 0 missing
X0Av	numeric	12 unique values 0 missing
X3Av	numeric	10 unique values 0 missing
X4Av	numeric	10 unique values 0 missing
X5Av	numeric	7 unique values 0 missing
X5v	numeric	12 unique values 0 missing
C.024	numeric	6 unique values 0 missing
NaaCH	numeric	5 unique values 0 missing
GATS3p	numeric	12 unique values 0 missing
Mi	numeric	9 unique values 0 missing
nCsp2	numeric	6 unique values 0 missing
nCbH	numeric	6 unique values 0 missing
Eig07_AEA.bo.	numeric	11 unique values 0 missing
Eig07_EA.bo.	numeric	11 unique values 0 missing
MATS7p	numeric	12 unique values 0 missing
MATS7v	numeric	11 unique values 0 missing
PCD	numeric	11 unique values 0 missing
SaaCH	numeric	12 unique values 0 missing
SM08_EA.bo.	numeric	11 unique values 0 missing
Eta_beta_A	numeric	12 unique values 0 missing
Eta_betaP_A	numeric	12 unique values 0 missing
P_VSA_MR_6	numeric	11 unique values 0 missing
ATS4i	numeric	12 unique values 0 missing
ATS5e	numeric	12 unique values 0 missing
ATS5i	numeric	12 unique values 0 missing
ATSC5m	numeric	12 unique values 0 missing
ATSC8m	numeric	12 unique values 0 missing
ATSC8p	numeric	12 unique values 0 missing
C.026	numeric	5 unique values 0 missing
CATS2D_01_DA	numeric	2 unique values 0 missing
CATS2D_06_AA	numeric	5 unique values 0 missing
CATS2D_06_DD	numeric	4 unique values 0 missing
Eig07_EA.ed.	numeric	11 unique values 0 missing
Eta_betaP	numeric	8 unique values 0 missing
Eta_C	numeric	12 unique values 0 missing
Eta_F_A	numeric	12 unique values 0 missing
GATS4p	numeric	12 unique values 0 missing
GGI10	numeric	11 unique values 0 missing
GGI8	numeric	11 unique values 0 missing
JGI2	numeric	9 unique values 0 missing
NaaNH	numeric	2 unique values 0 missing
nCb.	numeric	5 unique values 0 missing
nPyrazoles	numeric	2 unique values 0 missing
P_VSA_s_5	numeric	3 unique values 0 missing
SaaNH	numeric	7 unique values 0 missing
SM02_AEA.ri.	numeric	11 unique values 0 missing
SpMax8_Bh.e.	numeric	11 unique values 0 missing
SpMax8_Bh.i.	numeric	11 unique values 0 missing
SpMin1_Bh.m.	numeric	10 unique values 0 missing
SpMin8_Bh.p.	numeric	12 unique values 0 missing
TIC1	numeric	12 unique values 0 missing
TIC5	numeric	12 unique values 0 missing
ATS8e	numeric	12 unique values 0 missing
ATS8i	numeric	12 unique values 0 missing
Eta_FL_A	numeric	12 unique values 0 missing
Eta_L_A	numeric	12 unique values 0 missing
GATS6s	numeric	12 unique values 0 missing
SpMax2_Bh.p.	numeric	12 unique values 0 missing
SpMax2_Bh.v.	numeric	11 unique values 0 missing
Eta_B_A	numeric	8 unique values 0 missing
GATS7e	numeric	12 unique values 0 missing
GATS7p	numeric	12 unique values 0 missing
MATS3s	numeric	12 unique values 0 missing
MATS7i	numeric	12 unique values 0 missing
nDB	numeric	3 unique values 0 missing
NdO	numeric	3 unique values 0 missing
NdssC	numeric	3 unique values 0 missing
O.058	numeric	3 unique values 0 missing
PDI	numeric	11 unique values 0 missing
piID	numeric	11 unique values 0 missing
piPC04	numeric	10 unique values 0 missing
P_VSA_e_2	numeric	12 unique values 0 missing
SdO	numeric	7 unique values 0 missing
SdssC	numeric	7 unique values 0 missing
SIC5	numeric	12 unique values 0 missing
SM10_EA.bo.	numeric	11 unique values 0 missing
SpMax1_Bh.m.	numeric	11 unique values 0 missing
SM12_EA.bo.	numeric	11 unique values 0 missing
AAC	numeric	12 unique values 0 missing
AECC	numeric	11 unique values 0 missing
ALOGP	numeric	12 unique values 0 missing
ALOGP2	numeric	12 unique values 0 missing
AMR	numeric	12 unique values 0 missing
AMW	numeric	12 unique values 0 missing
ARR	numeric	10 unique values 0 missing
ATS1e	numeric	12 unique values 0 missing
ATS1i	numeric	11 unique values 0 missing
ATS1m	numeric	12 unique values 0 missing
ATS1p	numeric	12 unique values 0 missing
ATS1s	numeric	12 unique values 0 missing
ATS1v	numeric	11 unique values 0 missing
ATS2e	numeric	12 unique values 0 missing
ATS2i	numeric	12 unique values 0 missing
ATS2m	numeric	12 unique values 0 missing
ATS2p	numeric	12 unique values 0 missing
ATS2s	numeric	12 unique values 0 missing
ATS2v	numeric	12 unique values 0 missing
ATS3e	numeric	12 unique values 0 missing
ATS3i	numeric	12 unique values 0 missing
ATS3m	numeric	11 unique values 0 missing
ATS3p	numeric	12 unique values 0 missing
ATS3s	numeric	12 unique values 0 missing
ATS3v	numeric	12 unique values 0 missing
ATS4e	numeric	12 unique values 0 missing
ATS4m	numeric	12 unique values 0 missing
ATS4p	numeric	12 unique values 0 missing
ATS4s	numeric	12 unique values 0 missing
ATS4v	numeric	12 unique values 0 missing
ATS5m	numeric	12 unique values 0 missing
ATS5p	numeric	12 unique values 0 missing
ATS5s	numeric	12 unique values 0 missing
ATS5v	numeric	12 unique values 0 missing
ATS6e	numeric	12 unique values 0 missing
ATS6i	numeric	12 unique values 0 missing
ATS6m	numeric	12 unique values 0 missing
ATS6p	numeric	12 unique values 0 missing
ATS6s	numeric	12 unique values 0 missing
ATS6v	numeric	12 unique values 0 missing
ATS7e	numeric	12 unique values 0 missing
ATS7i	numeric	12 unique values 0 missing
ATS7m	numeric	12 unique values 0 missing
ATS7p	numeric	11 unique values 0 missing
ATS7s	numeric	12 unique values 0 missing
ATS7v	numeric	12 unique values 0 missing
ATS8m	numeric	12 unique values 0 missing
ATS8p	numeric	11 unique values 0 missing
ATS8s	numeric	12 unique values 0 missing
ATS8v	numeric	12 unique values 0 missing
ATSC1e	numeric	12 unique values 0 missing
ATSC1i	numeric	12 unique values 0 missing
ATSC1m	numeric	12 unique values 0 missing
ATSC1p	numeric	12 unique values 0 missing
ATSC1s	numeric	12 unique values 0 missing
ATSC1v	numeric	12 unique values 0 missing
ATSC2e	numeric	12 unique values 0 missing
ATSC2i	numeric	12 unique values 0 missing
ATSC2m	numeric	12 unique values 0 missing
ATSC2p	numeric	12 unique values 0 missing
ATSC2s	numeric	12 unique values 0 missing
ATSC2v	numeric	12 unique values 0 missing
ATSC3e	numeric	12 unique values 0 missing
ATSC3i	numeric	12 unique values 0 missing
ATSC3m	numeric	12 unique values 0 missing
ATSC3p	numeric	12 unique values 0 missing
ATSC3s	numeric	12 unique values 0 missing
ATSC3v	numeric	12 unique values 0 missing
ATSC4e	numeric	12 unique values 0 missing
ATSC4i	numeric	12 unique values 0 missing
ATSC4m	numeric	12 unique values 0 missing
ATSC4p	numeric	12 unique values 0 missing
ATSC4s	numeric	12 unique values 0 missing
ATSC4v	numeric	12 unique values 0 missing
ATSC5e	numeric	12 unique values 0 missing
ATSC5i	numeric	12 unique values 0 missing
ATSC5p	numeric	12 unique values 0 missing
ATSC5s	numeric	12 unique values 0 missing
ATSC5v	numeric	12 unique values 0 missing
ATSC6e	numeric	12 unique values 0 missing
ATSC6i	numeric	12 unique values 0 missing
ATSC6m	numeric	12 unique values 0 missing
ATSC6p	numeric	12 unique values 0 missing
ATSC6s	numeric	12 unique values 0 missing
ATSC6v	numeric	12 unique values 0 missing
ATSC7e	numeric	12 unique values 0 missing
ATSC7i	numeric	12 unique values 0 missing
ATSC7m	numeric	12 unique values 0 missing
ATSC7p	numeric	12 unique values 0 missing
ATSC7s	numeric	12 unique values 0 missing
ATSC7v	numeric	12 unique values 0 missing
ATSC8e	numeric	12 unique values 0 missing
ATSC8i	numeric	12 unique values 0 missing
ATSC8s	numeric	12 unique values 0 missing
ATSC8v	numeric	12 unique values 0 missing
BAC	numeric	9 unique values 0 missing
BBI	numeric	10 unique values 0 missing
BIC0	numeric	12 unique values 0 missing
BIC1	numeric	11 unique values 0 missing
BIC2	numeric	10 unique values 0 missing
BIC4	numeric	12 unique values 0 missing
BIC5	numeric	12 unique values 0 missing
BID	numeric	9 unique values 0 missing
BLI	numeric	12 unique values 0 missing
BLTA96	numeric	12 unique values 0 missing
BLTD48	numeric	12 unique values 0 missing
BLTF96	numeric	12 unique values 0 missing
C.	numeric	12 unique values 0 missing
C.001	numeric	6 unique values 0 missing
C.002	numeric	5 unique values 0 missing
C.003	numeric	2 unique values 0 missing
C.005	numeric	2 unique values 0 missing
C.006	numeric	4 unique values 0 missing
C.008	numeric	4 unique values 0 missing
C.009	numeric	2 unique values 0 missing
C.011	numeric	2 unique values 0 missing
C.012	numeric	2 unique values 0 missing
C.013	numeric	2 unique values 0 missing
C.025	numeric	3 unique values 0 missing
C.027	numeric	2 unique values 0 missing
C.028	numeric	2 unique values 0 missing
C.029	numeric	2 unique values 0 missing
C.034	numeric	2 unique values 0 missing
C.035	numeric	2 unique values 0 missing
C.039	numeric	2 unique values 0 missing
C.040	numeric	3 unique values 0 missing
C.043	numeric	3 unique values 0 missing
C.044	numeric	2 unique values 0 missing
CATS2D_01_AA	numeric	2 unique values 0 missing
CATS2D_01_LL	numeric	9 unique values 0 missing
CATS2D_02_AA	numeric	4 unique values 0 missing
CATS2D_02_DA	numeric	2 unique values 0 missing
CATS2D_02_DL	numeric	6 unique values 0 missing
CATS2D_02_LL	numeric	8 unique values 0 missing
CATS2D_03_AA	numeric	5 unique values 0 missing
CATS2D_03_AL	numeric	9 unique values 0 missing
CATS2D_03_DA	numeric	5 unique values 0 missing
CATS2D_03_DD	numeric	2 unique values 0 missing
CATS2D_03_DL	numeric	6 unique values 0 missing
CATS2D_03_LL	numeric	9 unique values 0 missing
CATS2D_04_AA	numeric	3 unique values 0 missing
CATS2D_04_AL	numeric	8 unique values 0 missing
CATS2D_04_DA	numeric	6 unique values 0 missing
CATS2D_04_DD	numeric	3 unique values 0 missing
CATS2D_04_DL	numeric	5 unique values 0 missing
CATS2D_04_LL	numeric	9 unique values 0 missing
CATS2D_05_AA	numeric	3 unique values 0 missing
CATS2D_05_AL	numeric	8 unique values 0 missing
CATS2D_05_DA	numeric	4 unique values 0 missing
CATS2D_05_DD	numeric	3 unique values 0 missing
CATS2D_05_LL	numeric	8 unique values 0 missing
CATS2D_06_AL	numeric	8 unique values 0 missing
CATS2D_06_DA	numeric	4 unique values 0 missing
CATS2D_06_DL	numeric	7 unique values 0 missing
CATS2D_06_LL	numeric	10 unique values 0 missing
CATS2D_07_AA	numeric	2 unique values 0 missing
CATS2D_07_AL	numeric	8 unique values 0 missing
CATS2D_07_DA	numeric	3 unique values 0 missing
CATS2D_07_DD	numeric	3 unique values 0 missing
CATS2D_07_DL	numeric	6 unique values 0 missing
CATS2D_08_AA	numeric	2 unique values 0 missing
CATS2D_08_AL	numeric	7 unique values 0 missing
CATS2D_08_DA	numeric	3 unique values 0 missing
CATS2D_08_DD	numeric	3 unique values 0 missing
CATS2D_08_DL	numeric	8 unique values 0 missing
CATS2D_08_LL	numeric	9 unique values 0 missing
CATS2D_09_AA	numeric	2 unique values 0 missing
CATS2D_09_AL	numeric	7 unique values 0 missing
CATS2D_09_DA	numeric	3 unique values 0 missing
CATS2D_09_DD	numeric	2 unique values 0 missing
CATS2D_09_DL	numeric	6 unique values 0 missing
CATS2D_09_LL	numeric	7 unique values 0 missing
CENT	numeric	11 unique values 0 missing
Chi0_AEA.bo.	numeric	11 unique values 0 missing
Chi0_AEA.dm.	numeric	11 unique values 0 missing
Chi0_AEA.ed.	numeric	11 unique values 0 missing
Chi0_AEA.ri.	numeric	11 unique values 0 missing
Chi0_EA	numeric	11 unique values 0 missing
Chi0_EA.bo.	numeric	11 unique values 0 missing
Chi0_EA.dm.	numeric	12 unique values 0 missing
Chi0_EA.ed.	numeric	11 unique values 0 missing
Chi0_EA.ri.	numeric	12 unique values 0 missing
Chi1_AEA.bo.	numeric	11 unique values 0 missing
Chi1_AEA.dm.	numeric	11 unique values 0 missing
Chi1_AEA.ed.	numeric	11 unique values 0 missing
Chi1_AEA.ri.	numeric	11 unique values 0 missing
Chi1_EA	numeric	11 unique values 0 missing
Chi1_EA.bo.	numeric	11 unique values 0 missing
Chi1_EA.dm.	numeric	12 unique values 0 missing
Chi1_EA.ed.	numeric	11 unique values 0 missing
Chi1_EA.ri.	numeric	12 unique values 0 missing
CIC0	numeric	12 unique values 0 missing
CIC1	numeric	12 unique values 0 missing
CIC2	numeric	12 unique values 0 missing
CIC3	numeric	12 unique values 0 missing
CIC4	numeric	12 unique values 0 missing
CIC5	numeric	12 unique values 0 missing
CID	numeric	11 unique values 0 missing
Cl.089	numeric	2 unique values 0 missing
CMC.50	numeric	2 unique values 0 missing
CMC.80	numeric	2 unique values 0 missing
cRo5	numeric	2 unique values 0 missing
CSI	numeric	11 unique values 0 missing
DBI	numeric	9 unique values 0 missing
D.Dtr05	numeric	10 unique values 0 missing
D.Dtr06	numeric	11 unique values 0 missing
D.Dtr07	numeric	2 unique values 0 missing
D.Dtr09	numeric	2 unique values 0 missing
D.Dtr10	numeric	4 unique values 0 missing
DECC	numeric	11 unique values 0 missing
DELS	numeric	12 unique values 0 missing
Depressant.80	numeric	2 unique values 0 missing
DLS_01	numeric	3 unique values 0 missing
DLS_02	numeric	4 unique values 0 missing
DLS_03	numeric	3 unique values 0 missing
DLS_04	numeric	5 unique values 0 missing
DLS_05	numeric	2 unique values 0 missing
DLS_06	numeric	4 unique values 0 missing
DLS_07	numeric	3 unique values 0 missing
DLS_cons	numeric	8 unique values 0 missing
Dz	numeric	11 unique values 0 missing
ECC	numeric	11 unique values 0 missing
Eig01_AEA.bo.	numeric	9 unique values 0 missing
Eig01_AEA.dm.	numeric	10 unique values 0 missing
Eig01_AEA.ed.	numeric	10 unique values 0 missing
Eig01_AEA.ri.	numeric	10 unique values 0 missing
Eig01_EA	numeric	9 unique values 0 missing
Eig01_EA.bo.	numeric	11 unique values 0 missing
Eig01_EA.dm.	numeric	6 unique values 0 missing
Eig01_EA.ed.	numeric	10 unique values 0 missing
Eig01_EA.ri.	numeric	11 unique values 0 missing
Eig02_AEA.bo.	numeric	11 unique values 0 missing
Eig02_AEA.ed.	numeric	11 unique values 0 missing
Eig02_AEA.ri.	numeric	11 unique values 0 missing
Eig02_EA	numeric	11 unique values 0 missing
Eig02_EA.bo.	numeric	11 unique values 0 missing
Eig02_EA.dm.	numeric	8 unique values 0 missing
Eig02_EA.ed.	numeric	11 unique values 0 missing
Eig02_EA.ri.	numeric	10 unique values 0 missing
Eig03_AEA.bo.	numeric	11 unique values 0 missing
Eig03_AEA.dm.	numeric	11 unique values 0 missing
Eig03_AEA.ed.	numeric	11 unique values 0 missing
Eig03_AEA.ri.	numeric	12 unique values 0 missing
Eig03_EA	numeric	11 unique values 0 missing
Eig03_EA.bo.	numeric	11 unique values 0 missing
Eig03_EA.dm.	numeric	6 unique values 0 missing
Eig03_EA.ed.	numeric	11 unique values 0 missing
Eig03_EA.ri.	numeric	12 unique values 0 missing
Eig04_AEA.bo.	numeric	11 unique values 0 missing
Eig04_AEA.ed.	numeric	9 unique values 0 missing
Eig04_AEA.ri.	numeric	11 unique values 0 missing
Eig04_EA	numeric	11 unique values 0 missing
Eig04_EA.bo.	numeric	9 unique values 0 missing
Eig04_EA.dm.	numeric	5 unique values 0 missing
Eig04_EA.ed.	numeric	10 unique values 0 missing
Eig04_EA.ri.	numeric	11 unique values 0 missing
Eig05_AEA.bo.	numeric	11 unique values 0 missing
Eig05_AEA.ed.	numeric	11 unique values 0 missing
Eig05_AEA.ri.	numeric	12 unique values 0 missing
Eig05_EA	numeric	10 unique values 0 missing
Eig05_EA.bo.	numeric	11 unique values 0 missing
Eig05_EA.dm.	numeric	4 unique values 0 missing
Eig05_EA.ed.	numeric	11 unique values 0 missing
Eig05_EA.ri.	numeric	12 unique values 0 missing
Eig06_AEA.bo.	numeric	11 unique values 0 missing
Eig06_AEA.dm.	numeric	12 unique values 0 missing
Eig06_AEA.ed.	numeric	10 unique values 0 missing
Eig06_AEA.ri.	numeric	11 unique values 0 missing
Eig06_EA.bo.	numeric	10 unique values 0 missing
Eig06_EA.dm.	numeric	3 unique values 0 missing
Eig06_EA.ed.	numeric	11 unique values 0 missing
Eig06_EA.ri.	numeric	11 unique values 0 missing
Eig07_AEA.dm.	numeric	12 unique values 0 missing
Eig07_AEA.ed.	numeric	11 unique values 0 missing
Eig07_EA	numeric	11 unique values 0 missing
Eig07_EA.dm.	numeric	2 unique values 0 missing
Eig08_AEA.bo.	numeric	11 unique values 0 missing
Eig08_AEA.ed.	numeric	11 unique values 0 missing
Eig08_AEA.ri.	numeric	11 unique values 0 missing
Eig08_EA	numeric	9 unique values 0 missing
Eig08_EA.bo.	numeric	10 unique values 0 missing
Eig08_EA.dm.	numeric	2 unique values 0 missing
Eig08_EA.ed.	numeric	11 unique values 0 missing
Eig09_AEA.bo.	numeric	10 unique values 0 missing
Eig09_AEA.dm.	numeric	11 unique values 0 missing
Eig09_AEA.ed.	numeric	11 unique values 0 missing
Eig09_AEA.ri.	numeric	11 unique values 0 missing
Eig09_EA	numeric	10 unique values 0 missing
Eig09_EA.bo.	numeric	10 unique values 0 missing
Eig09_EA.ed.	numeric	11 unique values 0 missing
Eig09_EA.ri.	numeric	10 unique values 0 missing
Eig10_AEA.bo.	numeric	8 unique values 0 missing
Eig10_AEA.dm.	numeric	11 unique values 0 missing
Eig10_AEA.ed.	numeric	11 unique values 0 missing
Eig10_AEA.ri.	numeric	9 unique values 0 missing
Eig10_EA	numeric	9 unique values 0 missing
Eig10_EA.bo.	numeric	9 unique values 0 missing
Eig10_EA.ed.	numeric	10 unique values 0 missing
Eig10_EA.ri.	numeric	9 unique values 0 missing
Eig11_AEA.bo.	numeric	11 unique values 0 missing
Eig11_AEA.dm.	numeric	11 unique values 0 missing
Eig11_AEA.ed.	numeric	11 unique values 0 missing
Eig11_AEA.ri.	numeric	11 unique values 0 missing
Eig11_EA	numeric	9 unique values 0 missing
Eig11_EA.bo.	numeric	11 unique values 0 missing
Eig11_EA.ed.	numeric	11 unique values 0 missing
Eig11_EA.ri.	numeric	11 unique values 0 missing
Eig12_AEA.bo.	numeric	11 unique values 0 missing
Eig12_AEA.dm.	numeric	10 unique values 0 missing
Eig12_AEA.ed.	numeric	10 unique values 0 missing
Eig12_AEA.ri.	numeric	12 unique values 0 missing
Eig12_EA	numeric	11 unique values 0 missing
Eig12_EA.bo.	numeric	11 unique values 0 missing
Eig12_EA.ed.	numeric	11 unique values 0 missing
Eig12_EA.ri.	numeric	12 unique values 0 missing
Eig13_AEA.bo.	numeric	10 unique values 0 missing
Eig13_AEA.dm.	numeric	11 unique values 0 missing
Eig13_AEA.ed.	numeric	11 unique values 0 missing
Eig13_AEA.ri.	numeric	11 unique values 0 missing
Eig13_EA	numeric	10 unique values 0 missing
Eig13_EA.bo.	numeric	10 unique values 0 missing
Eig13_EA.ed.	numeric	10 unique values 0 missing
Eig13_EA.ri.	numeric	10 unique values 0 missing
Eig14_AEA.bo.	numeric	11 unique values 0 missing
Eig14_AEA.dm.	numeric	10 unique values 0 missing
Eig14_AEA.ed.	numeric	10 unique values 0 missing
Eig14_AEA.ri.	numeric	12 unique values 0 missing
Eig14_EA	numeric	11 unique values 0 missing
Eig14_EA.bo.	numeric	11 unique values 0 missing
Eig14_EA.ed.	numeric	11 unique values 0 missing
Eig14_EA.ri.	numeric	11 unique values 0 missing
Eig15_AEA.bo.	numeric	10 unique values 0 missing
Eig15_AEA.dm.	numeric	11 unique values 0 missing
Eig15_AEA.ed.	numeric	11 unique values 0 missing
Eig15_AEA.ri.	numeric	11 unique values 0 missing
Eig15_EA	numeric	11 unique values 0 missing
Eig15_EA.bo.	numeric	11 unique values 0 missing
Eig15_EA.ed.	numeric	11 unique values 0 missing
Eig15_EA.ri.	numeric	12 unique values 0 missing
Eta_alpha	numeric	12 unique values 0 missing
Eta_alpha_A	numeric	11 unique values 0 missing
Eta_B	numeric	11 unique values 0 missing
Eta_beta	numeric	12 unique values 0 missing
Eta_betaS	numeric	11 unique values 0 missing
Eta_betaS_A	numeric	8 unique values 0 missing
Eta_C_A	numeric	11 unique values 0 missing
Eta_epsi	numeric	12 unique values 0 missing
Eta_epsi_A	numeric	12 unique values 0 missing
Eta_F	numeric	12 unique values 0 missing
Eta_FL	numeric	12 unique values 0 missing
Eta_L	numeric	12 unique values 0 missing
Eta_sh_p	numeric	11 unique values 0 missing
Eta_sh_x	numeric	6 unique values 0 missing
Eta_sh_y	numeric	12 unique values 0 missing
F.083	numeric	2 unique values 0 missing
GATS1e	numeric	12 unique values 0 missing
GATS1i	numeric	12 unique values 0 missing
GATS1m	numeric	11 unique values 0 missing
GATS1p	numeric	12 unique values 0 missing
GATS1s	numeric	12 unique values 0 missing
GATS1v	numeric	12 unique values 0 missing
GATS2i	numeric	10 unique values 0 missing
GATS2m	numeric	12 unique values 0 missing
GATS2p	numeric	11 unique values 0 missing
GATS2s	numeric	12 unique values 0 missing
GATS2v	numeric	12 unique values 0 missing
GATS3i	numeric	12 unique values 0 missing
GATS3m	numeric	11 unique values 0 missing
GATS4e	numeric	12 unique values 0 missing
GATS4m	numeric	11 unique values 0 missing
GATS4s	numeric	12 unique values 0 missing
GATS4v	numeric	11 unique values 0 missing
GATS5e	numeric	12 unique values 0 missing
GATS5i	numeric	12 unique values 0 missing
GATS5p	numeric	12 unique values 0 missing
GATS5s	numeric	12 unique values 0 missing
GATS5v	numeric	12 unique values 0 missing
GATS6e	numeric	12 unique values 0 missing
GATS6i	numeric	12 unique values 0 missing
GATS7i	numeric	12 unique values 0 missing
GATS7m	numeric	12 unique values 0 missing
GATS7s	numeric	12 unique values 0 missing
GATS7v	numeric	11 unique values 0 missing
GATS8i	numeric	12 unique values 0 missing
GATS8p	numeric	12 unique values 0 missing
GATS8s	numeric	12 unique values 0 missing
GATS8v	numeric	11 unique values 0 missing
GGI1	numeric	9 unique values 0 missing
GGI2	numeric	10 unique values 0 missing
GGI3	numeric	11 unique values 0 missing
GGI4	numeric	11 unique values 0 missing
GGI5	numeric	10 unique values 0 missing
GGI6	numeric	11 unique values 0 missing
GGI7	numeric	11 unique values 0 missing
GGI9	numeric	11 unique values 0 missing
GMTI	numeric	11 unique values 0 missing
GMTIV	numeric	12 unique values 0 missing
GNar	numeric	11 unique values 0 missing
H.	numeric	12 unique values 0 missing
H.046	numeric	9 unique values 0 missing
H.047	numeric	6 unique values 0 missing
H.048	numeric	2 unique values 0 missing
H.049	numeric	2 unique values 0 missing
H.050	numeric	5 unique values 0 missing
H.051	numeric	4 unique values 0 missing
H.052	numeric	4 unique values 0 missing
HDcpx	numeric	10 unique values 0 missing
HNar	numeric	11 unique values 0 missing
HVcpx	numeric	11 unique values 0 missing
Hy	numeric	12 unique values 0 missing
Hypertens.50	numeric	2 unique values 0 missing
Hypertens.80	numeric	2 unique values 0 missing
IC0	numeric	12 unique values 0 missing
IC1	numeric	12 unique values 0 missing
IC2	numeric	11 unique values 0 missing
IC3	numeric	12 unique values 0 missing
IC4	numeric	12 unique values 0 missing
IC5	numeric	12 unique values 0 missing
ICR	numeric	11 unique values 0 missing
IDDE	numeric	10 unique values 0 missing
IDDM	numeric	11 unique values 0 missing
IDE	numeric	11 unique values 0 missing
IDET	numeric	11 unique values 0 missing
IDM	numeric	11 unique values 0 missing
IDMT	numeric	11 unique values 0 missing
Infective.80	numeric	2 unique values 0 missing
Inflammat.80	numeric	2 unique values 0 missing
ISIZ	numeric	10 unique values 0 missing
IVDE	numeric	11 unique values 0 missing
IVDM	numeric	11 unique values 0 missing
JGI1	numeric	10 unique values 0 missing
JGI10	numeric	4 unique values 0 missing
JGI3	numeric	8 unique values 0 missing
JGI4	numeric	8 unique values 0 missing
JGI5	numeric	8 unique values 0 missing
JGI6	numeric	6 unique values 0 missing
JGI7	numeric	7 unique values 0 missing
JGI9	numeric	4 unique values 0 missing
JGT	numeric	11 unique values 0 missing
LLS_02	numeric	4 unique values 0 missing
LOC	numeric	11 unique values 0 missing
LPRS	numeric	11 unique values 0 missing
MATS1e	numeric	12 unique values 0 missing
MATS1i	numeric	12 unique values 0 missing
MATS1m	numeric	11 unique values 0 missing
MATS1p	numeric	12 unique values 0 missing
MATS1s	numeric	11 unique values 0 missing
MATS1v	numeric	12 unique values 0 missing
MATS2e	numeric	12 unique values 0 missing
MATS2i	numeric	12 unique values 0 missing
MATS2m	numeric	12 unique values 0 missing
MATS2p	numeric	12 unique values 0 missing
MATS2v	numeric	12 unique values 0 missing
MATS3e	numeric	12 unique values 0 missing
MATS3i	numeric	12 unique values 0 missing
MATS3m	numeric	11 unique values 0 missing
MATS4e	numeric	12 unique values 0 missing
MATS4i	numeric	12 unique values 0 missing
MATS4m	numeric	12 unique values 0 missing
MATS4p	numeric	12 unique values 0 missing
MATS4s	numeric	12 unique values 0 missing
MATS4v	numeric	12 unique values 0 missing
MATS5i	numeric	12 unique values 0 missing
MATS5m	numeric	12 unique values 0 missing
MATS5p	numeric	12 unique values 0 missing
MATS5s	numeric	12 unique values 0 missing
MATS5v	numeric	12 unique values 0 missing
MATS6i	numeric	12 unique values 0 missing
MATS6m	numeric	12 unique values 0 missing
MATS6p	numeric	11 unique values 0 missing
MATS6s	numeric	11 unique values 0 missing
MATS6v	numeric	12 unique values 0 missing
MATS7e	numeric	12 unique values 0 missing
MATS7m	numeric	12 unique values 0 missing
MATS7s	numeric	12 unique values 0 missing
MATS8i	numeric	12 unique values 0 missing
MATS8m	numeric	12 unique values 0 missing
MATS8p	numeric	11 unique values 0 missing
MATS8s	numeric	12 unique values 0 missing
MATS8v	numeric	12 unique values 0 missing
MAXDN	numeric	12 unique values 0 missing
MAXDP	numeric	12 unique values 0 missing
MCD	numeric	11 unique values 0 missing
MDDD	numeric	11 unique values 0 missing
Me	numeric	12 unique values 0 missing
MLOGP	numeric	12 unique values 0 missing
MLOGP2	numeric	12 unique values 0 missing
Mp	numeric	12 unique values 0 missing
MPC01	numeric	9 unique values 0 missing
MPC02	numeric	10 unique values 0 missing
MPC03	numeric	9 unique values 0 missing
MPC04	numeric	11 unique values 0 missing
MPC05	numeric	10 unique values 0 missing
MPC06	numeric	10 unique values 0 missing
MPC07	numeric	9 unique values 0 missing
MPC08	numeric	11 unique values 0 missing
MPC09	numeric	11 unique values 0 missing
MPC10	numeric	11 unique values 0 missing
MSD	numeric	11 unique values 0 missing

Show first 100 features

107 properties

NumberOfInstances

Number of instances (rows) of the dataset.

NumberOfFeatures

629

Number of attributes (columns) of the dataset.

NumberOfClasses

Number of distinct values of the target attribute (if it is nominal).

NumberOfMissingValues

Number of missing values in the dataset.

NumberOfInstancesWithMissingValues

Number of instances with at least one value missing.

NumberOfNumericFeatures

628

Number of numeric attributes.

NumberOfSymbolicFeatures

Number of nominal attributes.

AutoCorrelation

-0.11

Average class difference between consecutive instances.

CfsSubsetEval_DecisionStumpAUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.trees.DecisionStump -E "weka.attributeSelection.CfsSubsetEval -P 1 -E 1" -S "weka.attributeSelection.BestFirst -D 1 -N 5" -W

CfsSubsetEval_DecisionStumpErrRate

Error rate achieved by the landmarker weka.classifiers.trees.DecisionStump -E "weka.attributeSelection.CfsSubsetEval -P 1 -E 1" -S "weka.attributeSelection.BestFirst -D 1 -N 5" -W

CfsSubsetEval_DecisionStumpKappa

Kappa coefficient achieved by the landmarker weka.classifiers.trees.DecisionStump -E "weka.attributeSelection.CfsSubsetEval -P 1 -E 1" -S "weka.attributeSelection.BestFirst -D 1 -N 5" -W

CfsSubsetEval_NaiveBayesAUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.bayes.NaiveBayes -E "weka.attributeSelection.CfsSubsetEval -P 1 -E 1" -S "weka.attributeSelection.BestFirst -D 1 -N 5" -W

CfsSubsetEval_NaiveBayesErrRate

Error rate achieved by the landmarker weka.classifiers.bayes.NaiveBayes -E "weka.attributeSelection.CfsSubsetEval -P 1 -E 1" -S "weka.attributeSelection.BestFirst -D 1 -N 5" -W

CfsSubsetEval_NaiveBayesKappa

Kappa coefficient achieved by the landmarker weka.classifiers.bayes.NaiveBayes -E "weka.attributeSelection.CfsSubsetEval -P 1 -E 1" -S "weka.attributeSelection.BestFirst -D 1 -N 5" -W

CfsSubsetEval_kNN1NAUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.lazy.IBk -E "weka.attributeSelection.CfsSubsetEval -P 1 -E 1" -S "weka.attributeSelection.BestFirst -D 1 -N 5" -W

CfsSubsetEval_kNN1NErrRate

Error rate achieved by the landmarker weka.classifiers.lazy.IBk -E "weka.attributeSelection.CfsSubsetEval -P 1 -E 1" -S "weka.attributeSelection.BestFirst -D 1 -N 5" -W

CfsSubsetEval_kNN1NKappa

Kappa coefficient achieved by the landmarker weka.classifiers.lazy.IBk -E "weka.attributeSelection.CfsSubsetEval -P 1 -E 1" -S "weka.attributeSelection.BestFirst -D 1 -N 5" -W

ClassEntropy

Entropy of the target attribute values.

DecisionStumpAUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.trees.DecisionStump

DecisionStumpErrRate

Error rate achieved by the landmarker weka.classifiers.trees.DecisionStump

DecisionStumpKappa

Kappa coefficient achieved by the landmarker weka.classifiers.trees.DecisionStump

Dimensionality

52.42

Number of attributes divided by the number of instances.

EquivalentNumberOfAtts

Number of attributes needed to optimally describe the class (under the assumption of independence among attributes). Equals ClassEntropy divided by MeanMutualInformation.

J48.00001.AUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.trees.J48 -C .00001

J48.00001.ErrRate

Error rate achieved by the landmarker weka.classifiers.trees.J48 -C .00001

J48.00001.Kappa

Kappa coefficient achieved by the landmarker weka.classifiers.trees.J48 -C .00001

J48.0001.AUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.trees.J48 -C .0001

J48.0001.ErrRate

Error rate achieved by the landmarker weka.classifiers.trees.J48 -C .0001

J48.0001.Kappa

Kappa coefficient achieved by the landmarker weka.classifiers.trees.J48 -C .0001

J48.001.AUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.trees.J48 -C .001

J48.001.ErrRate

Error rate achieved by the landmarker weka.classifiers.trees.J48 -C .001

J48.001.Kappa

Kappa coefficient achieved by the landmarker weka.classifiers.trees.J48 -C .001

MajorityClassPercentage

Percentage of instances belonging to the most frequent class.

MajorityClassSize

Number of instances belonging to the most frequent class.

MaxAttributeEntropy

Maximum entropy among attributes.

MaxKurtosisOfNumericAtts

Maximum kurtosis among attributes of the numeric type.

MaxMeansOfNumericAtts

47579.67

Maximum of means among attributes of the numeric type.

MaxMutualInformation

Maximum mutual information between the nominal attributes and the target attribute.

MaxNominalAttDistinctValues

The maximum number of distinct values among attributes of the nominal type.

MaxSkewnessOfNumericAtts

3.46

Maximum skewness among attributes of the numeric type.

MaxStdDevOfNumericAtts

27394.85

Maximum standard deviation of attributes of the numeric type.

MeanAttributeEntropy

Average entropy of the attributes.

MeanKurtosisOfNumericAtts

0.49

Mean kurtosis among attributes of the numeric type.

MeanMeansOfNumericAtts

174.01

Mean of means among attributes of the numeric type.

MeanMutualInformation

Average mutual information between the nominal attributes and the target attribute.

MeanNoiseToSignalRatio

An estimate of the amount of irrelevant information in the attributes regarding the class. Equals (MeanAttributeEntropy - MeanMutualInformation) divided by MeanMutualInformation.

MeanNominalAttDistinctValues

Average number of distinct values among the attributes of the nominal type.

MeanSkewnessOfNumericAtts

0.54

Mean skewness among attributes of the numeric type.

MeanStdDevOfNumericAtts

106.92

Mean standard deviation of attributes of the numeric type.

MinAttributeEntropy

Minimal entropy among attributes.

MinKurtosisOfNumericAtts

-2.44

Minimum kurtosis among attributes of the numeric type.

MinMeansOfNumericAtts

-3.12

Minimum of means among attributes of the numeric type.

MinMutualInformation

Minimal mutual information between the nominal attributes and the target attribute.

MinNominalAttDistinctValues

The minimal number of distinct values among attributes of the nominal type.

MinSkewnessOfNumericAtts

-2.06

Minimum skewness among attributes of the numeric type.

MinStdDevOfNumericAtts

Minimum standard deviation of attributes of the numeric type.

MinorityClassPercentage

Percentage of instances belonging to the least frequent class.

MinorityClassSize

Number of instances belonging to the least frequent class.

NaiveBayesAUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.bayes.NaiveBayes

NaiveBayesErrRate

Error rate achieved by the landmarker weka.classifiers.bayes.NaiveBayes

NaiveBayesKappa

Kappa coefficient achieved by the landmarker weka.classifiers.bayes.NaiveBayes

NumberOfBinaryFeatures

Number of binary attributes.

PercentageOfBinaryFeatures

Percentage of binary attributes.

PercentageOfInstancesWithMissingValues

Percentage of instances having missing values.

PercentageOfMissingValues

Percentage of missing values.

PercentageOfNumericFeatures

99.84

Percentage of numeric attributes.

PercentageOfSymbolicFeatures

0.16

Percentage of nominal attributes.

Quartile1AttributeEntropy

First quartile of entropy among attributes.

Quartile1KurtosisOfNumericAtts

-0.81

First quartile of kurtosis among attributes of the numeric type.

Quartile1MeansOfNumericAtts

0.77

First quartile of means among attributes of the numeric type.

Quartile1MutualInformation

First quartile of mutual information between the nominal attributes and the target attribute.

Quartile1SkewnessOfNumericAtts

-0.06

First quartile of skewness among attributes of the numeric type.

Quartile1StdDevOfNumericAtts

0.13

First quartile of standard deviation of attributes of the numeric type.

Quartile2AttributeEntropy

Second quartile (Median) of entropy among attributes.

Quartile2KurtosisOfNumericAtts

0.01

Second quartile (Median) of kurtosis among attributes of the numeric type.

Quartile2MeansOfNumericAtts

2.05

Second quartile (Median) of means among attributes of the numeric type.

Quartile2MutualInformation

Second quartile (Median) of mutual information between the nominal attributes and the target attribute.

Quartile2SkewnessOfNumericAtts

0.53

Second quartile (Median) of skewness among attributes of the numeric type.

Quartile2StdDevOfNumericAtts

0.29

Second quartile (Median) of standard deviation of attributes of the numeric type.

Quartile3AttributeEntropy

Third quartile of entropy among attributes.

Quartile3KurtosisOfNumericAtts

1.02

Third quartile of kurtosis among attributes of the numeric type.

Quartile3MeansOfNumericAtts

5.27

Third quartile of means among attributes of the numeric type.

Quartile3MutualInformation

Third quartile of mutual information between the nominal attributes and the target attribute.

Quartile3SkewnessOfNumericAtts

1.19

Third quartile of skewness among attributes of the numeric type.

Quartile3StdDevOfNumericAtts

1.1

Third quartile of standard deviation of attributes of the numeric type.

REPTreeDepth1AUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.trees.REPTree -L 1

REPTreeDepth1ErrRate

Error rate achieved by the landmarker weka.classifiers.trees.REPTree -L 1

REPTreeDepth1Kappa

Kappa coefficient achieved by the landmarker weka.classifiers.trees.REPTree -L 1

REPTreeDepth2AUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.trees.REPTree -L 2

REPTreeDepth2ErrRate

Error rate achieved by the landmarker weka.classifiers.trees.REPTree -L 2

REPTreeDepth2Kappa

Kappa coefficient achieved by the landmarker weka.classifiers.trees.REPTree -L 2

REPTreeDepth3AUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.trees.REPTree -L 3

REPTreeDepth3ErrRate

Error rate achieved by the landmarker weka.classifiers.trees.REPTree -L 3

REPTreeDepth3Kappa

Kappa coefficient achieved by the landmarker weka.classifiers.trees.REPTree -L 3

RandomTreeDepth1AUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.trees.RandomTree -depth 1

RandomTreeDepth1ErrRate

Error rate achieved by the landmarker weka.classifiers.trees.RandomTree -depth 1

RandomTreeDepth1Kappa

Kappa coefficient achieved by the landmarker weka.classifiers.trees.RandomTree -depth 1

RandomTreeDepth2AUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.trees.RandomTree -depth 2

RandomTreeDepth2ErrRate

Error rate achieved by the landmarker weka.classifiers.trees.RandomTree -depth 2

RandomTreeDepth2Kappa

Kappa coefficient achieved by the landmarker weka.classifiers.trees.RandomTree -depth 2

RandomTreeDepth3AUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.trees.RandomTree -depth 3

RandomTreeDepth3ErrRate

Error rate achieved by the landmarker weka.classifiers.trees.RandomTree -depth 3

RandomTreeDepth3Kappa

Kappa coefficient achieved by the landmarker weka.classifiers.trees.RandomTree -depth 3

StdvNominalAttDistinctValues

Standard deviation of the number of distinct values among attributes of the nominal type.

kNN1NAUC

Area Under the ROC Curve achieved by the landmarker weka.classifiers.lazy.IBk

kNN1NErrRate

Error rate achieved by the landmarker weka.classifiers.lazy.IBk

kNN1NKappa

Kappa coefficient achieved by the landmarker weka.classifiers.lazy.IBk

Show all 107 properties

12 tasks

Supervised Regression on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4316

2 runs - estimation_procedure: Custom 10-fold Crossvalidation - target_feature: pXC50

Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4316

0 runs

Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4316