Data
QSAR_TID_11

QSAR_TID_11

active ARFF Publicly available Visibility: public Uploaded 22-12-2022 by Sebastian Fischer
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Data Description This dataset contains drugs and their potency. The features of the drug are FCFP 1024bit Molecular Fingerprints which were generated from SMILES strings. They were obtained using the Pipeline Pilot program, Dassault Systemes BIOVIA. Attribute Description 1. *MEDIAN_PXC50* - target feature 2. *MOLECULE_CHEMBL_ID* - id 3. *FCFP.* - molecular fingerprints

1025 features

MEDIAN_PXC50 (target)numeric1387 unique values
0 missing
FCFP6_1024_0numeric2 unique values
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FCFP6_1024_1003numeric2 unique values
0 missing
FCFP6_1024_236numeric2 unique values
0 missing
FCFP6_1024_492numeric2 unique values
0 missing
FCFP6_1024_748numeric2 unique values
0 missing
FCFP6_1024_1004numeric2 unique values
0 missing
FCFP6_1024_237numeric2 unique values
0 missing
FCFP6_1024_493numeric2 unique values
0 missing
FCFP6_1024_749numeric2 unique values
0 missing
FCFP6_1024_1005numeric2 unique values
0 missing
FCFP6_1024_238numeric2 unique values
0 missing
FCFP6_1024_494numeric2 unique values
0 missing
FCFP6_1024_750numeric2 unique values
0 missing
FCFP6_1024_1006numeric2 unique values
0 missing
FCFP6_1024_239numeric2 unique values
0 missing
FCFP6_1024_495numeric2 unique values
0 missing
FCFP6_1024_751numeric2 unique values
0 missing
FCFP6_1024_1007numeric2 unique values
0 missing
FCFP6_1024_240numeric2 unique values
0 missing
FCFP6_1024_496numeric2 unique values
0 missing
FCFP6_1024_752numeric2 unique values
0 missing
FCFP6_1024_1008numeric2 unique values
0 missing
FCFP6_1024_241numeric2 unique values
0 missing
FCFP6_1024_497numeric2 unique values
0 missing
FCFP6_1024_753numeric2 unique values
0 missing
FCFP6_1024_1009numeric2 unique values
0 missing
FCFP6_1024_242numeric2 unique values
0 missing
FCFP6_1024_498numeric2 unique values
0 missing
FCFP6_1024_754numeric2 unique values
0 missing
FCFP6_1024_1010numeric2 unique values
0 missing
FCFP6_1024_243numeric2 unique values
0 missing
FCFP6_1024_499numeric2 unique values
0 missing
FCFP6_1024_755numeric2 unique values
0 missing
FCFP6_1024_1011numeric2 unique values
0 missing
FCFP6_1024_244numeric2 unique values
0 missing
FCFP6_1024_500numeric2 unique values
0 missing
FCFP6_1024_756numeric2 unique values
0 missing
FCFP6_1024_1012numeric2 unique values
0 missing
FCFP6_1024_245numeric2 unique values
0 missing
FCFP6_1024_501numeric2 unique values
0 missing
FCFP6_1024_757numeric2 unique values
0 missing
FCFP6_1024_1013numeric2 unique values
0 missing
FCFP6_1024_246numeric2 unique values
0 missing
FCFP6_1024_502numeric2 unique values
0 missing
FCFP6_1024_758numeric2 unique values
0 missing
FCFP6_1024_1014numeric2 unique values
0 missing
FCFP6_1024_247numeric2 unique values
0 missing
FCFP6_1024_503numeric2 unique values
0 missing
FCFP6_1024_759numeric2 unique values
0 missing
FCFP6_1024_1015numeric2 unique values
0 missing
FCFP6_1024_248numeric2 unique values
0 missing
FCFP6_1024_504numeric2 unique values
0 missing
FCFP6_1024_760numeric2 unique values
0 missing
FCFP6_1024_1016numeric2 unique values
0 missing
FCFP6_1024_249numeric2 unique values
0 missing
FCFP6_1024_505numeric2 unique values
0 missing
FCFP6_1024_761numeric2 unique values
0 missing
Show first 100 features

19 properties

NumberOfInstances
5742
Number of instances (rows) of the dataset.
NumberOfFeatures
1025
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
1025
Number of numeric attributes.
NumberOfSymbolicFeatures
0
Number of nominal attributes.
PercentageOfBinaryFeatures
0
Percentage of binary attributes.
PercentageOfInstancesWithMissingValues
0
Percentage of instances having missing values.
PercentageOfMissingValues
0
Percentage of missing values.
AutoCorrelation
0.02
Average class difference between consecutive instances.
PercentageOfNumericFeatures
100
Percentage of numeric attributes.
Dimensionality
0.18
Number of attributes divided by the number of instances.
PercentageOfSymbolicFeatures
0
Percentage of nominal attributes.
MajorityClassPercentage
Percentage of instances belonging to the most frequent class.
MajorityClassSize
Number of instances belonging to the most frequent class.
MinorityClassPercentage
Percentage of instances belonging to the least frequent class.
MinorityClassSize
Number of instances belonging to the least frequent class.
NumberOfBinaryFeatures
0
Number of binary attributes.
Show all 19 properties

1 tasks

Supervised Regression on QSAR_TID_11
0 runs - estimation_procedure: 10-fold Crossvalidation - target_feature: MEDIAN_PXC50
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