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QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954

QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954

deactivated ARFF Publicly available Visibility: public Uploaded 15-07-2016 by unknown
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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: CHEMBL1954 (TID: 11257), and it has 12 rows and 326 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.

328 features

pXC50 (target)numeric9 unique values
0 missing
molecule_id (row identifier)nominal12 unique values
0 missing
ALOGPnumeric9 unique values
0 missing
ATSC5snumeric12 unique values
0 missing
ATSC8snumeric12 unique values
0 missing
BIC2numeric9 unique values
0 missing
BIC4numeric6 unique values
0 missing
BIC5numeric6 unique values
0 missing
C.numeric8 unique values
0 missing
C.015numeric2 unique values
0 missing
C.016numeric2 unique values
0 missing
C.024numeric2 unique values
0 missing
CATS2D_03_APnumeric3 unique values
0 missing
CATS2D_04_DLnumeric3 unique values
0 missing
CATS2D_06_APnumeric3 unique values
0 missing
CATS2D_09_DPnumeric3 unique values
0 missing
CATS2D_09_PPnumeric2 unique values
0 missing
CIC2numeric9 unique values
0 missing
CIC3numeric9 unique values
0 missing
Eig03_EA.bo.numeric9 unique values
0 missing
Eig03_EA.ed.numeric8 unique values
0 missing
Eig03_EA.ri.numeric11 unique values
0 missing
Eig05_AEA.bo.numeric9 unique values
0 missing
Eig05_EA.bo.numeric8 unique values
0 missing
Eig11_AEA.ri.numeric10 unique values
0 missing
Eta_Bnumeric5 unique values
0 missing
Eta_betaPnumeric4 unique values
0 missing
GATS3enumeric12 unique values
0 missing
GATS6enumeric12 unique values
0 missing
GGI3numeric5 unique values
0 missing
IC2numeric9 unique values
0 missing
MATS2pnumeric9 unique values
0 missing
MATS2vnumeric9 unique values
0 missing
MATS3inumeric11 unique values
0 missing
MATS4enumeric11 unique values
0 missing
MATS4pnumeric12 unique values
0 missing
MATS4snumeric11 unique values
0 missing
Minumeric7 unique values
0 missing
nBMnumeric2 unique values
0 missing
nCsp2numeric2 unique values
0 missing
nDBnumeric2 unique values
0 missing
NdCH2numeric2 unique values
0 missing
NdsCHnumeric2 unique values
0 missing
nNnumeric2 unique values
0 missing
nR.Cpnumeric2 unique values
0 missing
nR.Csnumeric2 unique values
0 missing
PCDnumeric11 unique values
0 missing
PDInumeric8 unique values
0 missing
piPC06numeric11 unique values
0 missing
P_VSA_e_2numeric9 unique values
0 missing
P_VSA_e_3numeric5 unique values
0 missing
P_VSA_i_2numeric9 unique values
0 missing
P_VSA_i_4numeric5 unique values
0 missing
P_VSA_LogP_5numeric5 unique values
0 missing
P_VSA_m_2numeric9 unique values
0 missing
P_VSA_MR_7numeric4 unique values
0 missing
P_VSA_p_3numeric9 unique values
0 missing
P_VSA_s_4numeric7 unique values
0 missing
P_VSA_s_6numeric6 unique values
0 missing
P_VSA_v_3numeric9 unique values
0 missing
RBFnumeric8 unique values
0 missing
SdCH2numeric3 unique values
0 missing
SdsCHnumeric12 unique values
0 missing
SIC2numeric9 unique values
0 missing
SIC3numeric9 unique values
0 missing
SM03_EA.ri.numeric5 unique values
0 missing
SM04_AEA.bo.numeric10 unique values
0 missing
SM04_EA.bo.numeric10 unique values
0 missing
SM05_AEA.bo.numeric10 unique values
0 missing
SM12_AEA.dm.numeric8 unique values
0 missing
SM13_AEA.ri.numeric9 unique values
0 missing
SM15_AEA.ri.numeric8 unique values
0 missing
SpMAD_AEA.ri.numeric8 unique values
0 missing
SpMAD_EAnumeric8 unique values
0 missing
SpMax2_Bh.m.numeric9 unique values
0 missing
SpMax3_Bh.m.numeric12 unique values
0 missing
SpMax5_Bh.e.numeric12 unique values
0 missing
SpMax5_Bh.s.numeric12 unique values
0 missing
SsNH2numeric12 unique values
0 missing
Ucnumeric2 unique values
0 missing
Uinumeric2 unique values
0 missing
X1Anumeric7 unique values
0 missing
BIC3numeric7 unique values
0 missing
MATS6enumeric12 unique values
0 missing
SpMax6_Bh.s.numeric12 unique values
0 missing
ATSC4snumeric12 unique values
0 missing
Eig04_AEA.bo.numeric11 unique values
0 missing
Eig04_EA.bo.numeric11 unique values
0 missing
MATS6snumeric12 unique values
0 missing
SM14_AEA.ri.numeric11 unique values
0 missing
ATSC5enumeric11 unique values
0 missing
GATS3inumeric11 unique values
0 missing
JGI9numeric5 unique values
0 missing
SaaCHnumeric12 unique values
0 missing
AACnumeric8 unique values
0 missing
AECCnumeric10 unique values
0 missing
ALOGP2numeric9 unique values
0 missing
AMRnumeric9 unique values
0 missing
AMWnumeric8 unique values
0 missing
ARRnumeric5 unique values
0 missing
ATS1enumeric8 unique values
0 missing
ATS1inumeric9 unique values
0 missing
ATS1mnumeric9 unique values
0 missing
ATS1pnumeric9 unique values
0 missing
ATS1snumeric11 unique values
0 missing
ATS1vnumeric9 unique values
0 missing
ATS2enumeric9 unique values
0 missing
ATS2inumeric9 unique values
0 missing
ATS2mnumeric9 unique values
0 missing
ATS2pnumeric9 unique values
0 missing
ATS2snumeric12 unique values
0 missing
ATS2vnumeric9 unique values
0 missing
ATS3enumeric10 unique values
0 missing
ATS3inumeric10 unique values
0 missing
ATS3mnumeric12 unique values
0 missing
ATS3pnumeric12 unique values
0 missing
ATS3snumeric12 unique values
0 missing
ATS3vnumeric11 unique values
0 missing
ATS4enumeric12 unique values
0 missing
ATS4inumeric12 unique values
0 missing
ATS4mnumeric11 unique values
0 missing
ATS4pnumeric12 unique values
0 missing
ATS4snumeric11 unique values
0 missing
ATS4vnumeric12 unique values
0 missing
ATS5enumeric12 unique values
0 missing
ATS5inumeric12 unique values
0 missing
ATS5mnumeric12 unique values
0 missing
ATS5pnumeric12 unique values
0 missing
ATS5snumeric11 unique values
0 missing
ATS5vnumeric12 unique values
0 missing
ATS6enumeric12 unique values
0 missing
ATS6inumeric12 unique values
0 missing
ATS6mnumeric12 unique values
0 missing
ATS6pnumeric12 unique values
0 missing
ATS6snumeric12 unique values
0 missing
ATS6vnumeric12 unique values
0 missing
ATS7enumeric12 unique values
0 missing
ATS7inumeric12 unique values
0 missing
ATS7mnumeric11 unique values
0 missing
ATS7pnumeric12 unique values
0 missing
ATS7snumeric12 unique values
0 missing
ATS7vnumeric12 unique values
0 missing
ATS8enumeric12 unique values
0 missing
ATS8inumeric12 unique values
0 missing
ATS8mnumeric11 unique values
0 missing
ATS8pnumeric12 unique values
0 missing
ATS8snumeric12 unique values
0 missing
ATS8vnumeric12 unique values
0 missing
ATSC1enumeric9 unique values
0 missing
ATSC1inumeric8 unique values
0 missing
ATSC1mnumeric9 unique values
0 missing
ATSC1pnumeric9 unique values
0 missing
ATSC1snumeric11 unique values
0 missing
ATSC1vnumeric9 unique values
0 missing
ATSC2enumeric8 unique values
0 missing
ATSC2inumeric9 unique values
0 missing
ATSC2mnumeric9 unique values
0 missing
ATSC2pnumeric9 unique values
0 missing
ATSC2snumeric12 unique values
0 missing
ATSC2vnumeric9 unique values
0 missing
ATSC3enumeric12 unique values
0 missing
ATSC3inumeric12 unique values
0 missing
ATSC3mnumeric12 unique values
0 missing
ATSC3pnumeric11 unique values
0 missing
ATSC3snumeric12 unique values
0 missing
ATSC3vnumeric12 unique values
0 missing
ATSC4enumeric12 unique values
0 missing
ATSC4inumeric12 unique values
0 missing
ATSC4mnumeric12 unique values
0 missing
ATSC4pnumeric12 unique values
0 missing
ATSC4vnumeric12 unique values
0 missing
ATSC5inumeric12 unique values
0 missing
ATSC5mnumeric12 unique values
0 missing
ATSC5pnumeric12 unique values
0 missing
ATSC5vnumeric12 unique values
0 missing
ATSC6enumeric12 unique values
0 missing
ATSC6inumeric12 unique values
0 missing
ATSC6mnumeric12 unique values
0 missing
ATSC6pnumeric12 unique values
0 missing
ATSC6snumeric12 unique values
0 missing
ATSC6vnumeric12 unique values
0 missing
ATSC7enumeric12 unique values
0 missing
ATSC7inumeric12 unique values
0 missing
ATSC7mnumeric12 unique values
0 missing
ATSC7pnumeric12 unique values
0 missing
ATSC7snumeric12 unique values
0 missing
ATSC7vnumeric12 unique values
0 missing
ATSC8enumeric11 unique values
0 missing
ATSC8inumeric12 unique values
0 missing
ATSC8mnumeric12 unique values
0 missing
ATSC8pnumeric12 unique values
0 missing
ATSC8vnumeric12 unique values
0 missing
BACnumeric6 unique values
0 missing
BBInumeric5 unique values
0 missing
BIC0numeric8 unique values
0 missing
BIC1numeric9 unique values
0 missing
BIDnumeric9 unique values
0 missing
BLInumeric11 unique values
0 missing
BLTA96numeric10 unique values
0 missing
BLTD48numeric10 unique values
0 missing
BLTF96numeric10 unique values
0 missing
C.001numeric2 unique values
0 missing
C.002numeric3 unique values
0 missing
C.005numeric2 unique values
0 missing
C.006numeric3 unique values
0 missing
C.025numeric2 unique values
0 missing
C.026numeric3 unique values
0 missing
C.027numeric2 unique values
0 missing
C.029numeric2 unique values
0 missing
CATS2D_00_DDnumeric3 unique values
0 missing
CATS2D_00_DPnumeric3 unique values
0 missing
CATS2D_00_PPnumeric3 unique values
0 missing
CATS2D_01_DAnumeric2 unique values
0 missing
CATS2D_01_DDnumeric2 unique values
0 missing
CATS2D_01_LLnumeric4 unique values
0 missing
CATS2D_02_ALnumeric3 unique values
0 missing
CATS2D_02_DAnumeric2 unique values
0 missing
CATS2D_02_DLnumeric2 unique values
0 missing
CATS2D_02_LLnumeric2 unique values
0 missing
CATS2D_02_PLnumeric3 unique values
0 missing
CATS2D_03_AAnumeric2 unique values
0 missing
CATS2D_03_ALnumeric3 unique values
0 missing
CATS2D_03_DAnumeric3 unique values
0 missing
CATS2D_03_DDnumeric3 unique values
0 missing
CATS2D_03_DLnumeric4 unique values
0 missing
CATS2D_03_DPnumeric3 unique values
0 missing
CATS2D_03_PLnumeric2 unique values
0 missing
CATS2D_04_APnumeric2 unique values
0 missing
CATS2D_04_DAnumeric3 unique values
0 missing
CATS2D_04_DDnumeric2 unique values
0 missing
CATS2D_04_DPnumeric3 unique values
0 missing
CATS2D_04_LLnumeric2 unique values
0 missing
CATS2D_04_PLnumeric2 unique values
0 missing
CATS2D_04_PPnumeric2 unique values
0 missing
CATS2D_05_AAnumeric2 unique values
0 missing
CATS2D_05_ALnumeric3 unique values
0 missing
CATS2D_05_APnumeric2 unique values
0 missing
CATS2D_05_DAnumeric2 unique values
0 missing
CATS2D_05_DDnumeric2 unique values
0 missing
CATS2D_05_DPnumeric2 unique values
0 missing
CATS2D_05_LLnumeric3 unique values
0 missing
CATS2D_05_PLnumeric2 unique values
0 missing
CATS2D_06_AAnumeric2 unique values
0 missing
CATS2D_06_ALnumeric3 unique values
0 missing
CATS2D_06_DAnumeric2 unique values
0 missing
CATS2D_06_DDnumeric2 unique values
0 missing
CATS2D_06_DLnumeric3 unique values
0 missing
CATS2D_06_DPnumeric3 unique values
0 missing
CATS2D_06_LLnumeric3 unique values
0 missing
CATS2D_06_PLnumeric2 unique values
0 missing
CATS2D_06_PPnumeric2 unique values
0 missing
CATS2D_07_ALnumeric2 unique values
0 missing
CATS2D_07_APnumeric2 unique values
0 missing
CATS2D_07_DAnumeric3 unique values
0 missing
CATS2D_07_DDnumeric3 unique values
0 missing
CATS2D_07_DLnumeric3 unique values
0 missing
CATS2D_07_DPnumeric3 unique values
0 missing
CATS2D_07_LLnumeric2 unique values
0 missing
CATS2D_07_PLnumeric2 unique values
0 missing
CATS2D_07_PPnumeric2 unique values
0 missing
CATS2D_08_AAnumeric2 unique values
0 missing
CATS2D_08_ALnumeric2 unique values
0 missing
CATS2D_08_APnumeric2 unique values
0 missing
CATS2D_08_DAnumeric2 unique values
0 missing
CATS2D_08_DDnumeric2 unique values
0 missing
CATS2D_08_DLnumeric3 unique values
0 missing
CATS2D_08_DPnumeric3 unique values
0 missing
CATS2D_08_PLnumeric2 unique values
0 missing
CATS2D_08_PPnumeric2 unique values
0 missing
CATS2D_09_AAnumeric2 unique values
0 missing
CATS2D_09_ALnumeric2 unique values
0 missing
CATS2D_09_APnumeric2 unique values
0 missing
CATS2D_09_DAnumeric2 unique values
0 missing
CATS2D_09_DDnumeric2 unique values
0 missing
CATS2D_09_DLnumeric2 unique values
0 missing
CATS2D_09_PLnumeric2 unique values
0 missing
CENTnumeric9 unique values
0 missing
Chi0_AEA.bo.numeric9 unique values
0 missing
Chi0_AEA.dm.numeric9 unique values
0 missing
Chi0_AEA.ed.numeric9 unique values
0 missing
Chi0_AEA.ri.numeric9 unique values
0 missing
Chi0_EAnumeric9 unique values
0 missing
Chi0_EA.bo.numeric10 unique values
0 missing
Chi0_EA.dm.numeric7 unique values
0 missing
Chi0_EA.ed.numeric10 unique values
0 missing
Chi0_EA.ri.numeric11 unique values
0 missing
Chi1_AEA.bo.numeric9 unique values
0 missing
Chi1_AEA.dm.numeric9 unique values
0 missing
Chi1_AEA.ed.numeric9 unique values
0 missing
Chi1_AEA.ri.numeric9 unique values
0 missing
Chi1_EAnumeric9 unique values
0 missing
Chi1_EA.bo.numeric11 unique values
0 missing
Chi1_EA.dm.numeric10 unique values
0 missing
Chi1_EA.ed.numeric10 unique values
0 missing
Chi1_EA.ri.numeric11 unique values
0 missing
CIC0numeric8 unique values
0 missing
CIC1numeric9 unique values
0 missing
CIC4numeric9 unique values
0 missing
CIC5numeric9 unique values
0 missing
CIDnumeric7 unique values
0 missing
CMC.50numeric2 unique values
0 missing
CMC.80numeric2 unique values
0 missing
CSInumeric10 unique values
0 missing
DBInumeric5 unique values
0 missing
D.Dtr06numeric7 unique values
0 missing
DECCnumeric10 unique values
0 missing
DELSnumeric12 unique values
0 missing
Depressant.80numeric2 unique values
0 missing
DLS_01numeric2 unique values
0 missing
DLS_02numeric2 unique values
0 missing
DLS_03numeric2 unique values
0 missing
DLS_04numeric6 unique values
0 missing
DLS_05numeric2 unique values
0 missing
DLS_06numeric3 unique values
0 missing
DLS_07numeric2 unique values
0 missing
DLS_consnumeric6 unique values
0 missing
Dznumeric7 unique values
0 missing
ECCnumeric10 unique values
0 missing
Eig01_AEA.bo.numeric8 unique values
0 missing
Eig01_AEA.ed.numeric9 unique values
0 missing
Eig01_AEA.ri.numeric10 unique values
0 missing
Eig01_EAnumeric9 unique values
0 missing
Eig01_EA.bo.numeric8 unique values
0 missing
Eig01_EA.ed.numeric10 unique values
0 missing
Eig01_EA.ri.numeric10 unique values
0 missing
Eig02_AEA.bo.numeric10 unique values
0 missing
Eig02_AEA.dm.numeric11 unique values
0 missing
Eig02_AEA.ed.numeric9 unique values
0 missing
Show first 100 features

62 properties

NumberOfInstances
12
Number of instances (rows) of the dataset.
NumberOfFeatures
328
Number of attributes (columns) of the dataset.
NumberOfClasses
0
Number of distinct values of the target attribute (if it is nominal).
NumberOfMissingValues
0
Number of missing values in the dataset.
NumberOfInstancesWithMissingValues
0
Number of instances with at least one value missing.
NumberOfNumericFeatures
327
Number of numeric attributes.
NumberOfSymbolicFeatures
1
Number of nominal attributes.
Quartile1MutualInformation
First quartile of mutual information between the nominal attributes and the target attribute.
PercentageOfBinaryFeatures
0
Percentage of binary attributes.
PercentageOfInstancesWithMissingValues
0
Percentage of instances having missing values.
PercentageOfMissingValues
0
Percentage of missing values.
PercentageOfNumericFeatures
99.7
Percentage of numeric attributes.
PercentageOfSymbolicFeatures
0.3
Percentage of nominal attributes.
Quartile1AttributeEntropy
First quartile of entropy among attributes.
Quartile1KurtosisOfNumericAtts
-0.22
First quartile of kurtosis among attributes of the numeric type.
Quartile1MeansOfNumericAtts
0.34
First quartile of means among attributes of the numeric type.
StdvNominalAttDistinctValues
Standard deviation of the number of distinct values among attributes of the nominal type.
Quartile1SkewnessOfNumericAtts
0.32
First quartile of skewness among attributes of the numeric type.
Quartile1StdDevOfNumericAtts
0.15
First quartile of standard deviation of attributes of the numeric type.
Quartile2AttributeEntropy
Second quartile (Median) of entropy among attributes.
Quartile2KurtosisOfNumericAtts
1.55
Second quartile (Median) of kurtosis among attributes of the numeric type.
Quartile2MeansOfNumericAtts
1.9
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
1.07
Second quartile (Median) of skewness among attributes of the numeric type.
Quartile2StdDevOfNumericAtts
0.39
Second quartile (Median) of standard deviation of attributes of the numeric type.
Quartile3AttributeEntropy
Third quartile of entropy among attributes.
Quartile3KurtosisOfNumericAtts
3.32
Third quartile of kurtosis among attributes of the numeric type.
Quartile3MeansOfNumericAtts
4.66
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
1.93
Third quartile of skewness among attributes of the numeric type.
Quartile3StdDevOfNumericAtts
0.78
Third quartile of standard deviation of attributes of the numeric type.
AutoCorrelation
0.52
Average class difference between consecutive instances.
MeanMeansOfNumericAtts
8.48
Mean of means among attributes of the numeric type.
ClassEntropy
Entropy of the target attribute values.
Dimensionality
27.33
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.
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
12
Maximum kurtosis among attributes of the numeric type.
MaxMeansOfNumericAtts
265.08
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
102.01
Maximum standard deviation of attributes of the numeric type.
MeanAttributeEntropy
Average entropy of the attributes.
MeanKurtosisOfNumericAtts
2.25
Mean kurtosis among attributes of the numeric type.
NumberOfBinaryFeatures
0
Number of binary attributes.
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
0.98
Mean skewness among attributes of the numeric type.
MeanStdDevOfNumericAtts
1.78
Mean standard deviation of attributes of the numeric type.
MinAttributeEntropy
Minimal entropy among attributes.
MinKurtosisOfNumericAtts
-2.41
Minimum kurtosis among attributes of the numeric type.
MinMeansOfNumericAtts
-1.36
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
-3.46
Minimum skewness among attributes of the numeric type.
MinStdDevOfNumericAtts
0
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.
Show all 62 properties

12 tasks

Supervised Regression on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954
2 runs - estimation_procedure: Custom 10-fold Crossvalidation - target_feature: pXC50
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954
0 runs
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1954
0 runs - estimation_procedure: 50 times Clustering
Define a new task