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QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL229

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: CHEMBL229 (TID: 125), and it has 1425 rows and 206 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.

208 features

pXC50 (target)	numeric	695 unique values 0 missing
molecule_id (row identifier)	nominal	1425 unique values 0 missing
Eig04_AEA.dm.	numeric	618 unique values 0 missing
Eig06_EA.dm.	numeric	86 unique values 0 missing
BAC	numeric	96 unique values 0 missing
DELS	numeric	1260 unique values 0 missing
ATSC7s	numeric	1267 unique values 0 missing
nDB	numeric	9 unique values 0 missing
Eig14_EA.ri.	numeric	709 unique values 0 missing
ATSC4s	numeric	1259 unique values 0 missing
DLS_06	numeric	6 unique values 0 missing
Eta_B	numeric	383 unique values 0 missing
SpMax4_Bh.s.	numeric	512 unique values 0 missing
Eig03_AEA.bo.	numeric	478 unique values 0 missing
ATSC2e	numeric	590 unique values 0 missing
SpMax5_Bh.v.	numeric	574 unique values 0 missing
X3sol	numeric	878 unique values 0 missing
SM03_EA	numeric	21 unique values 0 missing
ATS4e	numeric	811 unique values 0 missing
X5	numeric	886 unique values 0 missing
P_VSA_s_6	numeric	417 unique values 0 missing
ATSC5s	numeric	1265 unique values 0 missing
Infective.80	numeric	2 unique values 0 missing
Eig07_EA.dm.	numeric	65 unique values 0 missing
ATS4i	numeric	818 unique values 0 missing
SM04_AEA.ed.	numeric	635 unique values 0 missing
ATSC5e	numeric	816 unique values 0 missing
MPC03	numeric	90 unique values 0 missing
H.047	numeric	31 unique values 0 missing
SpMax3_Bh.s.	numeric	433 unique values 0 missing
SM04_EA.bo.	numeric	615 unique values 0 missing
nCONN	numeric	3 unique values 0 missing
Neoplastic.80	numeric	2 unique values 0 missing
Eig03_AEA.ed.	numeric	480 unique values 0 missing
SpMax8_Bh.s.	numeric	758 unique values 0 missing
SpMin2_Bh.p.	numeric	307 unique values 0 missing
CMC.80	numeric	2 unique values 0 missing
SsssCH	numeric	653 unique values 0 missing
ATSC6e	numeric	827 unique values 0 missing
Eig03_EA.ed.	numeric	608 unique values 0 missing
SM12_AEA.dm.	numeric	608 unique values 0 missing
SM05_EA	numeric	139 unique values 0 missing
ATSC1s	numeric	1141 unique values 0 missing
Eig02_AEA.ed.	numeric	438 unique values 0 missing
GGI9	numeric	303 unique values 0 missing
NdssC	numeric	8 unique values 0 missing
SM05_AEA.ed.	numeric	666 unique values 0 missing
S1K	numeric	807 unique values 0 missing
SPI	numeric	886 unique values 0 missing
SpMin8_Bh.v.	numeric	566 unique values 0 missing
Psi_i_s	numeric	711 unique values 0 missing
ATSC8e	numeric	780 unique values 0 missing
TIE	numeric	1274 unique values 0 missing
PHI	numeric	902 unique values 0 missing
ATSC6i	numeric	1018 unique values 0 missing
GGI6	numeric	578 unique values 0 missing
SpMax2_Bh.s.	numeric	350 unique values 0 missing
Chi0_EA.dm.	numeric	969 unique values 0 missing
ZM1Per	numeric	1184 unique values 0 missing
ATSC5i	numeric	989 unique values 0 missing
ZM2MulPer	numeric	1216 unique values 0 missing
Eig05_EA.dm.	numeric	79 unique values 0 missing
Eig15_AEA.dm.	numeric	620 unique values 0 missing
ZM1Kup	numeric	1028 unique values 0 missing
LLS_02	numeric	5 unique values 0 missing
nHet	numeric	15 unique values 0 missing
SpMin2_Bh.v.	numeric	300 unique values 0 missing
P_VSA_m_2	numeric	1047 unique values 0 missing
ZM1V	numeric	279 unique values 0 missing
ATS3s	numeric	822 unique values 0 missing
CATS2D_04_AL	numeric	26 unique values 0 missing
BID	numeric	144 unique values 0 missing
ZM2Per	numeric	1204 unique values 0 missing
SpMax7_Bh.m.	numeric	593 unique values 0 missing
ATSC7i	numeric	1010 unique values 0 missing
nN.CO.2	numeric	2 unique values 0 missing
ATS4s	numeric	895 unique values 0 missing
Eta_F_A	numeric	511 unique values 0 missing
Eig13_EA	numeric	509 unique values 0 missing
SM07_AEA.dm.	numeric	509 unique values 0 missing
SpMin8_Bh.s.	numeric	482 unique values 0 missing
nR06	numeric	8 unique values 0 missing
ATSC6s	numeric	1267 unique values 0 missing
SpMax6_Bh.s.	numeric	658 unique values 0 missing
Eig12_AEA.bo.	numeric	587 unique values 0 missing
ATS3v	numeric	772 unique values 0 missing
D.Dtr06	numeric	916 unique values 0 missing
SdO	numeric	828 unique values 0 missing
P_VSA_LogP_4	numeric	284 unique values 0 missing
SpMin8_Bh.m.	numeric	544 unique values 0 missing
C.017	numeric	3 unique values 0 missing
nR.Ct	numeric	3 unique values 0 missing
SpMax5_Bh.p.	numeric	544 unique values 0 missing
ATS5v	numeric	897 unique values 0 missing
Eig10_EA.ri.	numeric	684 unique values 0 missing
SM06_EA	numeric	662 unique values 0 missing
ATS2p	numeric	711 unique values 0 missing
nHAcc	numeric	15 unique values 0 missing
ATS8e	numeric	924 unique values 0 missing
ATS4p	numeric	845 unique values 0 missing
Eig13_EA.bo.	numeric	624 unique values 0 missing
ATS4v	numeric	850 unique values 0 missing
P_VSA_v_2	numeric	572 unique values 0 missing
SAacc	numeric	547 unique values 0 missing
DLS_01	numeric	4 unique values 0 missing
Eig08_EA.dm.	numeric	43 unique values 0 missing
Pol	numeric	78 unique values 0 missing
ATS7m	numeric	892 unique values 0 missing
Eig14_EA.ed.	numeric	608 unique values 0 missing
SM09_AEA.ri.	numeric	608 unique values 0 missing
Eig10_AEA.ed.	numeric	536 unique values 0 missing
ATSC1e	numeric	241 unique values 0 missing
ATS3p	numeric	759 unique values 0 missing
TPSA.Tot.	numeric	474 unique values 0 missing
GGI2	numeric	47 unique values 0 missing
SpMaxA_EA.ed.	numeric	313 unique values 0 missing
MPC06	numeric	189 unique values 0 missing
SM03_EA.ed.	numeric	443 unique values 0 missing
CATS2D_05_AL	numeric	22 unique values 0 missing
P_VSA_m_3	numeric	192 unique values 0 missing
SpMax4_Bh.v.	numeric	521 unique values 0 missing
ATS4m	numeric	865 unique values 0 missing
C.019	numeric	4 unique values 0 missing
nCconj	numeric	8 unique values 0 missing
Eig12_EA.bo.	numeric	601 unique values 0 missing
ATS8i	numeric	902 unique values 0 missing
P_VSA_MR_6	numeric	800 unique values 0 missing
F.084	numeric	5 unique values 0 missing
ATSC3i	numeric	931 unique values 0 missing
ATSC1i	numeric	637 unique values 0 missing
ATS5s	numeric	899 unique values 0 missing
SpMin6_Bh.e.	numeric	500 unique values 0 missing
NdO	numeric	7 unique values 0 missing
ATS8m	numeric	909 unique values 0 missing
GGI5	numeric	492 unique values 0 missing
DLS_cons	numeric	51 unique values 0 missing
GGI3	numeric	269 unique values 0 missing
Eig06_AEA.ri.	numeric	651 unique values 0 missing
Eig15_AEA.ri.	numeric	731 unique values 0 missing
ATS3m	numeric	761 unique values 0 missing
Eig15_EA	numeric	588 unique values 0 missing
SM09_AEA.dm.	numeric	588 unique values 0 missing
ATSC4i	numeric	961 unique values 0 missing
C.041	numeric	3 unique values 0 missing
Eig06_EA	numeric	551 unique values 0 missing
SM14_AEA.bo.	numeric	551 unique values 0 missing
ATS3e	numeric	726 unique values 0 missing
Eig12_AEA.dm.	numeric	646 unique values 0 missing
HVcpx	numeric	587 unique values 0 missing
SM05_EA.ri.	numeric	830 unique values 0 missing
AECC	numeric	701 unique values 0 missing
P_VSA_LogP_1	numeric	66 unique values 0 missing
Psi_e_A	numeric	618 unique values 0 missing
Psi_i_A	numeric	618 unique values 0 missing
Eig15_EA.bo.	numeric	635 unique values 0 missing
X4sol	numeric	869 unique values 0 missing
NssNH	numeric	5 unique values 0 missing
Eig15_EA.ri.	numeric	693 unique values 0 missing
X1MulPer	numeric	1098 unique values 0 missing
Eta_C	numeric	1257 unique values 0 missing
SM07_EA	numeric	581 unique values 0 missing
ATSC5v	numeric	1243 unique values 0 missing
S0K	numeric	330 unique values 0 missing
Eig13_AEA.ed.	numeric	489 unique values 0 missing
Eig13_AEA.dm.	numeric	608 unique values 0 missing
SM06_EA.ri.	numeric	889 unique values 0 missing
N.072	numeric	6 unique values 0 missing
SM04_AEA.bo.	numeric	630 unique values 0 missing
ATSC3s	numeric	1264 unique values 0 missing
Eig12_AEA.ed.	numeric	511 unique values 0 missing
IC3	numeric	675 unique values 0 missing
P_VSA_e_5	numeric	112 unique values 0 missing
P_VSA_i_2	numeric	1042 unique values 0 missing
nCsp2	numeric	23 unique values 0 missing
X1Kup	numeric	1106 unique values 0 missing
Eta_L	numeric	1115 unique values 0 missing
Eig06_EA.ed.	numeric	640 unique values 0 missing
SM15_AEA.dm.	numeric	640 unique values 0 missing
X4	numeric	885 unique values 0 missing
SM03_AEA.ed.	numeric	550 unique values 0 missing
SpMax8_Bh.i.	numeric	539 unique values 0 missing
SM05_EA.dm.	numeric	191 unique values 0 missing
SpMin5_Bh.i.	numeric	500 unique values 0 missing
O.058	numeric	7 unique values 0 missing
SM05_AEA.bo.	numeric	648 unique values 0 missing
X3	numeric	887 unique values 0 missing
MAXDP	numeric	1044 unique values 0 missing
ATSC4m	numeric	1247 unique values 0 missing
SpMax2_Bh.v.	numeric	350 unique values 0 missing
Eig06_AEA.bo.	numeric	541 unique values 0 missing
SMTIV	numeric	1216 unique values 0 missing
ATSC7p	numeric	1229 unique values 0 missing
ON0	numeric	200 unique values 0 missing
Eig06_AEA.dm.	numeric	673 unique values 0 missing
Eig06_EA.ri.	numeric	639 unique values 0 missing
X5sol	numeric	881 unique values 0 missing
GMTIV	numeric	1208 unique values 0 missing
Eig07_AEA.dm.	numeric	704 unique values 0 missing
ATS6s	numeric	920 unique values 0 missing
ON1	numeric	359 unique values 0 missing
Eta_F	numeric	1259 unique values 0 missing
ATS8s	numeric	956 unique values 0 missing
IDM	numeric	714 unique values 0 missing
nCbH	numeric	18 unique values 0 missing
Eig11_EA.ed.	numeric	624 unique values 0 missing
SM06_AEA.ri.	numeric	624 unique values 0 missing
GGI4	numeric	595 unique values 0 missing
TIC1	numeric	1071 unique values 0 missing

Show first 100 features

107 properties

NumberOfInstances

1425

Number of instances (rows) of the dataset.

NumberOfFeatures

208

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

207

Number of numeric attributes.

NumberOfSymbolicFeatures

Number of nominal attributes.

AutoCorrelation

-0.22

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

0.15

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

41.23

Maximum kurtosis among attributes of the numeric type.

MaxMeansOfNumericAtts

43313.18

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

2.65

Maximum skewness among attributes of the numeric type.

MaxStdDevOfNumericAtts

31109.58

Maximum standard deviation of attributes of the numeric type.

MeanAttributeEntropy

Average entropy of the attributes.

MeanKurtosisOfNumericAtts

0.86

Mean kurtosis among attributes of the numeric type.

MeanMeansOfNumericAtts

358.95

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

-0.02

Mean skewness among attributes of the numeric type.

MeanStdDevOfNumericAtts

245.84

Mean standard deviation of attributes of the numeric type.

MinAttributeEntropy

Minimal entropy among attributes.

MinKurtosisOfNumericAtts

-2

Minimum kurtosis among attributes of the numeric type.

MinMeansOfNumericAtts

-0.04

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

-2.31

Minimum skewness among attributes of the numeric type.

MinStdDevOfNumericAtts

0.07

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

99.52

Percentage of numeric attributes.

PercentageOfSymbolicFeatures

0.48

Percentage of nominal attributes.

Quartile1AttributeEntropy

First quartile of entropy among attributes.

Quartile1KurtosisOfNumericAtts

-0.48

First quartile of kurtosis among attributes of the numeric type.

Quartile1MeansOfNumericAtts

1.26

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

-0.71

First quartile of skewness among attributes of the numeric type.

Quartile1StdDevOfNumericAtts

0.43

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

Quartile2AttributeEntropy

Second quartile (Median) of entropy among attributes.

Quartile2KurtosisOfNumericAtts

-0.11

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

Quartile2MeansOfNumericAtts

4.11

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

-0.08

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

Quartile2StdDevOfNumericAtts

0.82

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

Quartile3AttributeEntropy

Third quartile of entropy among attributes.

Quartile3KurtosisOfNumericAtts

1.07

Third quartile of kurtosis among attributes of the numeric type.

Quartile3MeansOfNumericAtts

9.33

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

0.58

Third quartile of skewness among attributes of the numeric type.

Quartile3StdDevOfNumericAtts

2.85

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-CHEMBL229

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

Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL229

0 runs

Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL229