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QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320

QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320

deactivated ARFF Publicly available Visibility: public Uploaded 14-07-2016 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: CHEMBL5320 (TID: 100918), and it has 88 rows and 325 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.

327 features

pXC50 (target)numeric24 unique values
0 missing
molecule_id (row identifier)nominal88 unique values
0 missing
Eig04_AEA.bo.numeric83 unique values
0 missing
Eig04_EAnumeric86 unique values
0 missing
SM12_AEA.bo.numeric86 unique values
0 missing
CENTnumeric87 unique values
0 missing
ZM2MulPernumeric88 unique values
0 missing
ZM2Pernumeric87 unique values
0 missing
ZM2Vnumeric82 unique values
0 missing
Eig06_AEA.ed.numeric84 unique values
0 missing
Eig06_AEA.ri.numeric83 unique values
0 missing
Eig06_EAnumeric82 unique values
0 missing
Eig06_EA.ed.numeric87 unique values
0 missing
SM14_AEA.bo.numeric82 unique values
0 missing
SM15_AEA.dm.numeric87 unique values
0 missing
ZM2Kupnumeric88 unique values
0 missing
Eig04_EA.bo.numeric85 unique values
0 missing
SM14_AEA.ri.numeric85 unique values
0 missing
Eig14_EA.ri.numeric77 unique values
0 missing
Eig15_EAnumeric74 unique values
0 missing
Eig15_EA.ri.numeric83 unique values
0 missing
SM09_AEA.dm.numeric74 unique values
0 missing
Eig04_AEA.ri.numeric81 unique values
0 missing
Eig06_EA.bo.numeric82 unique values
0 missing
Dznumeric67 unique values
0 missing
ATS1snumeric82 unique values
0 missing
Chi0_EA.ri.numeric88 unique values
0 missing
Chi1_EA.ri.numeric88 unique values
0 missing
MDDDnumeric88 unique values
0 missing
SM03_EA.bo.numeric62 unique values
0 missing
piPC02numeric71 unique values
0 missing
SM02_EA.bo.numeric71 unique values
0 missing
Eig15_EA.bo.numeric81 unique values
0 missing
BBInumeric39 unique values
0 missing
Eig14_AEA.ed.numeric76 unique values
0 missing
MPC02numeric39 unique values
0 missing
MWC02numeric51 unique values
0 missing
SM02_AEA.ed.numeric67 unique values
0 missing
SM02_EAnumeric39 unique values
0 missing
SpAD_AEA.bo.numeric88 unique values
0 missing
SpAD_AEA.ed.numeric88 unique values
0 missing
SpAD_AEA.ri.numeric88 unique values
0 missing
SpAD_EAnumeric88 unique values
0 missing
SpAD_EA.ed.numeric88 unique values
0 missing
SRW04numeric59 unique values
0 missing
SRW06numeric81 unique values
0 missing
X2numeric88 unique values
0 missing
ZM1numeric51 unique values
0 missing
ZM2Madnumeric88 unique values
0 missing
VARnumeric71 unique values
0 missing
Eig06_AEA.bo.numeric82 unique values
0 missing
Eig09_AEA.ed.numeric86 unique values
0 missing
Eig15_AEA.ri.numeric79 unique values
0 missing
Eig15_EA.ed.numeric80 unique values
0 missing
SM04_EA.bo.numeric87 unique values
0 missing
SM10_AEA.ri.numeric80 unique values
0 missing
SpAD_EA.bo.numeric88 unique values
0 missing
BIDnumeric52 unique values
0 missing
Eig14_EAnumeric72 unique values
0 missing
Eig14_EA.bo.numeric75 unique values
0 missing
HDcpxnumeric68 unique values
0 missing
IDMnumeric86 unique values
0 missing
SM08_AEA.dm.numeric72 unique values
0 missing
SpMaxA_EA.ri.numeric49 unique values
0 missing
X1solnumeric87 unique values
0 missing
XMODnumeric88 unique values
0 missing
Eig04_EA.ri.numeric81 unique values
0 missing
S0Knumeric73 unique values
0 missing
Eig08_EA.ed.numeric84 unique values
0 missing
RDSQnumeric88 unique values
0 missing
SM03_AEA.ri.numeric84 unique values
0 missing
Chi0_EA.ed.numeric88 unique values
0 missing
Eig04_EA.ed.numeric85 unique values
0 missing
SM13_AEA.dm.numeric85 unique values
0 missing
X1vnumeric88 unique values
0 missing
C.018numeric2 unique values
0 missing
SpMax3_Bh.i.numeric68 unique values
0 missing
Eig15_AEA.ed.numeric81 unique values
0 missing
Eta_betaSnumeric48 unique values
0 missing
SM07_EA.bo.numeric86 unique values
0 missing
SM08_EA.bo.numeric86 unique values
0 missing
Eig02_EA.bo.numeric82 unique values
0 missing
SM12_AEA.ri.numeric82 unique values
0 missing
Eig09_EA.ed.numeric77 unique values
0 missing
SM04_AEA.ri.numeric77 unique values
0 missing
ATS6mnumeric83 unique values
0 missing
ATS7mnumeric87 unique values
0 missing
Eig11_AEA.ed.numeric78 unique values
0 missing
ATSC7inumeric86 unique values
0 missing
Eig11_AEA.bo.numeric77 unique values
0 missing
Eig04_AEA.ed.numeric85 unique values
0 missing
AACnumeric80 unique values
0 missing
AECCnumeric88 unique values
0 missing
ALOGPnumeric88 unique values
0 missing
ALOGP2numeric88 unique values
0 missing
AMRnumeric88 unique values
0 missing
AMWnumeric83 unique values
0 missing
ARRnumeric67 unique values
0 missing
ATS1enumeric83 unique values
0 missing
ATS1inumeric82 unique values
0 missing
ATS1mnumeric82 unique values
0 missing
ATS1pnumeric82 unique values
0 missing
ATS1vnumeric79 unique values
0 missing
ATS2enumeric80 unique values
0 missing
ATS2inumeric84 unique values
0 missing
ATS2mnumeric86 unique values
0 missing
ATS2pnumeric83 unique values
0 missing
ATS2snumeric87 unique values
0 missing
ATS2vnumeric86 unique values
0 missing
ATS3enumeric86 unique values
0 missing
ATS3inumeric82 unique values
0 missing
ATS3mnumeric82 unique values
0 missing
ATS3pnumeric85 unique values
0 missing
ATS3snumeric81 unique values
0 missing
ATS3vnumeric85 unique values
0 missing
ATS4enumeric84 unique values
0 missing
ATS4inumeric87 unique values
0 missing
ATS4mnumeric83 unique values
0 missing
ATS4pnumeric83 unique values
0 missing
ATS4snumeric87 unique values
0 missing
ATS4vnumeric86 unique values
0 missing
ATS5enumeric86 unique values
0 missing
ATS5inumeric86 unique values
0 missing
ATS5mnumeric85 unique values
0 missing
ATS5pnumeric86 unique values
0 missing
ATS5snumeric87 unique values
0 missing
ATS5vnumeric86 unique values
0 missing
ATS6enumeric84 unique values
0 missing
ATS6inumeric84 unique values
0 missing
ATS6pnumeric87 unique values
0 missing
ATS6snumeric84 unique values
0 missing
ATS6vnumeric84 unique values
0 missing
ATS7enumeric86 unique values
0 missing
ATS7inumeric85 unique values
0 missing
ATS7pnumeric87 unique values
0 missing
ATS7snumeric86 unique values
0 missing
ATS7vnumeric86 unique values
0 missing
ATS8enumeric85 unique values
0 missing
ATS8inumeric87 unique values
0 missing
ATS8mnumeric86 unique values
0 missing
ATS8pnumeric87 unique values
0 missing
ATS8snumeric87 unique values
0 missing
ATS8vnumeric86 unique values
0 missing
ATSC1enumeric76 unique values
0 missing
ATSC1inumeric82 unique values
0 missing
ATSC1mnumeric85 unique values
0 missing
ATSC1pnumeric86 unique values
0 missing
ATSC1snumeric88 unique values
0 missing
ATSC1vnumeric86 unique values
0 missing
ATSC2enumeric79 unique values
0 missing
ATSC2inumeric84 unique values
0 missing
ATSC2mnumeric87 unique values
0 missing
ATSC2pnumeric86 unique values
0 missing
ATSC2snumeric87 unique values
0 missing
ATSC2vnumeric88 unique values
0 missing
ATSC3enumeric84 unique values
0 missing
ATSC3inumeric84 unique values
0 missing
ATSC3mnumeric88 unique values
0 missing
ATSC3pnumeric88 unique values
0 missing
ATSC3snumeric88 unique values
0 missing
ATSC3vnumeric87 unique values
0 missing
ATSC4enumeric82 unique values
0 missing
ATSC4inumeric85 unique values
0 missing
ATSC4mnumeric88 unique values
0 missing
ATSC4pnumeric87 unique values
0 missing
ATSC4snumeric88 unique values
0 missing
ATSC4vnumeric88 unique values
0 missing
ATSC5enumeric86 unique values
0 missing
ATSC5inumeric87 unique values
0 missing
ATSC5mnumeric88 unique values
0 missing
ATSC5pnumeric88 unique values
0 missing
ATSC5snumeric88 unique values
0 missing
ATSC5vnumeric87 unique values
0 missing
ATSC6enumeric86 unique values
0 missing
ATSC6inumeric86 unique values
0 missing
ATSC6mnumeric88 unique values
0 missing
ATSC6pnumeric87 unique values
0 missing
ATSC6snumeric88 unique values
0 missing
ATSC6vnumeric88 unique values
0 missing
ATSC7enumeric86 unique values
0 missing
ATSC7mnumeric88 unique values
0 missing
ATSC7pnumeric87 unique values
0 missing
ATSC7snumeric88 unique values
0 missing
ATSC7vnumeric88 unique values
0 missing
ATSC8enumeric87 unique values
0 missing
ATSC8inumeric84 unique values
0 missing
ATSC8mnumeric88 unique values
0 missing
ATSC8pnumeric88 unique values
0 missing
ATSC8snumeric88 unique values
0 missing
ATSC8vnumeric88 unique values
0 missing
BACnumeric36 unique values
0 missing
BIC0numeric56 unique values
0 missing
BIC1numeric67 unique values
0 missing
BIC2numeric70 unique values
0 missing
BIC3numeric66 unique values
0 missing
BIC4numeric60 unique values
0 missing
BIC5numeric59 unique values
0 missing
BLInumeric70 unique values
0 missing
BLTA96numeric78 unique values
0 missing
BLTD48numeric72 unique values
0 missing
BLTF96numeric73 unique values
0 missing
Br.094numeric2 unique values
0 missing
C.numeric71 unique values
0 missing
C.001numeric5 unique values
0 missing
C.002numeric8 unique values
0 missing
C.003numeric3 unique values
0 missing
C.004numeric2 unique values
0 missing
C.005numeric5 unique values
0 missing
C.006numeric9 unique values
0 missing
C.007numeric2 unique values
0 missing
C.008numeric4 unique values
0 missing
C.009numeric3 unique values
0 missing
C.011numeric2 unique values
0 missing
C.012numeric2 unique values
0 missing
C.013numeric3 unique values
0 missing
C.015numeric2 unique values
0 missing
C.016numeric4 unique values
0 missing
C.017numeric3 unique values
0 missing
C.019numeric2 unique values
0 missing
C.021numeric2 unique values
0 missing
C.022numeric3 unique values
0 missing
C.024numeric14 unique values
0 missing
C.025numeric8 unique values
0 missing
C.026numeric8 unique values
0 missing
C.027numeric4 unique values
0 missing
C.028numeric4 unique values
0 missing
C.029numeric4 unique values
0 missing
C.030numeric2 unique values
0 missing
C.031numeric2 unique values
0 missing
C.032numeric2 unique values
0 missing
C.033numeric3 unique values
0 missing
C.034numeric5 unique values
0 missing
C.035numeric2 unique values
0 missing
C.039numeric2 unique values
0 missing
C.040numeric4 unique values
0 missing
C.041numeric2 unique values
0 missing
C.042numeric2 unique values
0 missing
C.043numeric2 unique values
0 missing
C.044numeric2 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_AAnumeric4 unique values
0 missing
CATS2D_01_ANnumeric2 unique values
0 missing
CATS2D_01_DAnumeric2 unique values
0 missing
CATS2D_01_DNnumeric2 unique values
0 missing
CATS2D_01_LLnumeric16 unique values
0 missing
CATS2D_01_NLnumeric2 unique values
0 missing
CATS2D_02_AAnumeric6 unique values
0 missing
CATS2D_02_ALnumeric13 unique values
0 missing
CATS2D_02_APnumeric5 unique values
0 missing
CATS2D_02_DAnumeric7 unique values
0 missing
CATS2D_02_DDnumeric2 unique values
0 missing
CATS2D_02_DLnumeric9 unique values
0 missing
CATS2D_02_LLnumeric18 unique values
0 missing
CATS2D_02_NLnumeric2 unique values
0 missing
CATS2D_02_PLnumeric3 unique values
0 missing
CATS2D_03_AAnumeric6 unique values
0 missing
CATS2D_03_ALnumeric14 unique values
0 missing
CATS2D_03_APnumeric3 unique values
0 missing
CATS2D_03_DAnumeric3 unique values
0 missing
CATS2D_03_DDnumeric2 unique values
0 missing
CATS2D_03_DLnumeric9 unique values
0 missing
CATS2D_03_DPnumeric2 unique values
0 missing
CATS2D_03_LLnumeric17 unique values
0 missing
CATS2D_03_NLnumeric2 unique values
0 missing
CATS2D_03_PLnumeric3 unique values
0 missing
CATS2D_04_AAnumeric6 unique values
0 missing
CATS2D_04_ALnumeric16 unique values
0 missing
CATS2D_04_APnumeric4 unique values
0 missing
CATS2D_04_DAnumeric5 unique values
0 missing
CATS2D_04_DDnumeric5 unique values
0 missing
CATS2D_04_DLnumeric10 unique values
0 missing
CATS2D_04_DPnumeric3 unique values
0 missing
CATS2D_04_LLnumeric17 unique values
0 missing
CATS2D_04_PLnumeric4 unique values
0 missing
CATS2D_04_PPnumeric2 unique values
0 missing
CATS2D_05_AAnumeric7 unique values
0 missing
CATS2D_05_ALnumeric17 unique values
0 missing
CATS2D_05_APnumeric2 unique values
0 missing
CATS2D_05_DAnumeric4 unique values
0 missing
CATS2D_05_DDnumeric3 unique values
0 missing
CATS2D_05_DLnumeric10 unique values
0 missing
CATS2D_05_DNnumeric2 unique values
0 missing
CATS2D_05_DPnumeric2 unique values
0 missing
CATS2D_05_LLnumeric18 unique values
0 missing
CATS2D_05_PLnumeric4 unique values
0 missing
CATS2D_06_AAnumeric6 unique values
0 missing
CATS2D_06_ALnumeric15 unique values
0 missing
CATS2D_06_APnumeric3 unique values
0 missing
CATS2D_06_DAnumeric5 unique values
0 missing
CATS2D_06_DDnumeric2 unique values
0 missing
CATS2D_06_DLnumeric12 unique values
0 missing
CATS2D_06_DPnumeric2 unique values
0 missing
CATS2D_06_LLnumeric19 unique values
0 missing
CATS2D_06_PLnumeric5 unique values
0 missing
CATS2D_07_AAnumeric7 unique values
0 missing
CATS2D_07_ALnumeric15 unique values
0 missing
CATS2D_07_ANnumeric2 unique values
0 missing
CATS2D_07_APnumeric3 unique values
0 missing
CATS2D_07_DAnumeric5 unique values
0 missing
CATS2D_07_DDnumeric2 unique values
0 missing
CATS2D_07_DLnumeric11 unique values
0 missing
CATS2D_07_DPnumeric2 unique values
0 missing
CATS2D_07_LLnumeric17 unique values
0 missing
CATS2D_07_PLnumeric5 unique values
0 missing
CATS2D_08_AAnumeric5 unique values
0 missing
CATS2D_08_ALnumeric13 unique values
0 missing
CATS2D_08_APnumeric3 unique values
0 missing
CATS2D_08_DAnumeric6 unique values
0 missing
CATS2D_08_DDnumeric3 unique values
0 missing
CATS2D_08_DLnumeric7 unique values
0 missing
CATS2D_08_DPnumeric2 unique values
0 missing
CATS2D_08_LLnumeric16 unique values
0 missing
CATS2D_08_PLnumeric6 unique values
0 missing
CATS2D_09_AAnumeric4 unique values
0 missing
CATS2D_09_ALnumeric13 unique values
0 missing
CATS2D_09_APnumeric2 unique values
0 missing
CATS2D_09_DAnumeric5 unique values
0 missing
CATS2D_09_DDnumeric3 unique values
0 missing
CATS2D_09_DLnumeric7 unique values
0 missing
CATS2D_09_DPnumeric3 unique values
0 missing
CATS2D_09_LLnumeric14 unique values
0 missing
CATS2D_09_NLnumeric2 unique values
0 missing
CATS2D_09_PLnumeric4 unique values
0 missing
Chi0_AEA.bo.numeric87 unique values
0 missing
Chi0_AEA.dm.numeric87 unique values
0 missing
Show first 100 features

62 properties

NumberOfInstances
88
Number of instances (rows) of the dataset.
NumberOfFeatures
327
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
326
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
99.69
Percentage of numeric attributes.
PercentageOfSymbolicFeatures
0.31
Percentage of nominal attributes.
Quartile1AttributeEntropy
First quartile of entropy among attributes.
Quartile1KurtosisOfNumericAtts
-0.25
First quartile of kurtosis among attributes of the numeric type.
Quartile1MeansOfNumericAtts
0.3
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
0.13
First quartile of skewness among attributes of the numeric type.
Quartile1StdDevOfNumericAtts
0.27
First quartile of standard deviation of attributes of the numeric type.
Quartile2AttributeEntropy
Second quartile (Median) of entropy among attributes.
Quartile2KurtosisOfNumericAtts
0.49
Second quartile (Median) of kurtosis among attributes of the numeric type.
Quartile2MeansOfNumericAtts
3.62
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
0.63
Second quartile (Median) of skewness among attributes of the numeric type.
Quartile2StdDevOfNumericAtts
0.56
Second quartile (Median) of standard deviation of attributes of the numeric type.
Quartile3AttributeEntropy
Third quartile of entropy among attributes.
Quartile3KurtosisOfNumericAtts
3.18
Third quartile of kurtosis among attributes of the numeric type.
Quartile3MeansOfNumericAtts
6.16
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
1.68
Third quartile of skewness among attributes of the numeric type.
Quartile3StdDevOfNumericAtts
2.42
Third quartile of standard deviation of attributes of the numeric type.
AutoCorrelation
0.45
Average class difference between consecutive instances.
MeanMeansOfNumericAtts
23.19
Mean of means among attributes of the numeric type.
ClassEntropy
Entropy of the target attribute values.
Dimensionality
3.72
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
88
Maximum kurtosis among attributes of the numeric type.
MaxMeansOfNumericAtts
1825.61
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
9.38
Maximum skewness among attributes of the numeric type.
MaxStdDevOfNumericAtts
1029.95
Maximum standard deviation of attributes of the numeric type.
MeanAttributeEntropy
Average entropy of the attributes.
MeanKurtosisOfNumericAtts
6.65
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
1.42
Mean skewness among attributes of the numeric type.
MeanStdDevOfNumericAtts
8.2
Mean standard deviation of attributes of the numeric type.
MinAttributeEntropy
Minimal entropy among attributes.
MinKurtosisOfNumericAtts
-1.21
Minimum kurtosis among attributes of the numeric type.
MinMeansOfNumericAtts
-4.03
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
-1.29
Minimum skewness among attributes of the numeric type.
MinStdDevOfNumericAtts
0.02
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-CHEMBL5320
2 runs - estimation_procedure: Custom 10-fold Crossvalidation - target_feature: pXC50
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320
0 runs
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320
0 runs - estimation_procedure: 50 times Clustering
Clustering on QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5320
0 runs - estimation_procedure: 50 times Clustering
Define a new task