QSAR-TID-103456 (Q6034348)

From MaRDI portal
OpenML dataset with id 3219
Language Label Description Also known as
English
QSAR-TID-103456
OpenML dataset with id 3219

    Statements

    0 references
    **Author**: Dr Ivan Olier, Dr Jeremy Besnard, Dr Noureddin Sadawi, Dr Larisa Soldatova, Dr Crina Grosan, Prof Ross King, Dr Richard Bickerton, Prof Andrew Hopkins and Dr Willem van Hoorn \N**Source**: MetaQSAR project - September 2015 \N**Please cite**: \N\NThis dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target TID: 103456, and it has 73 rows and 1026 features (including IDs and class feature: MOLECULE_CHEMBL_ID and MEDIAN_PXC50). The features represent FCFP 1024bit Molecular Fingerprints which were generated from SMILES strings. They were obtained using the Pipeline Pilot program, Dassault Systèmes BIOVIA. Generating Fingerprints does not usually require missing value imputation as all bits are generated.
    0 references
    Dr Jeremy Besnard, Dr Ivan Olier, Dr Noureddin Sadawi, Dr Larisa Soldatova, Dr Crina Grosan, Prof Ross King, Dr Richard Bickerton, Prof Andrew Hopkins and Dr Willem van Hoorn
    0 references
    November 2013
    0 references
    6 October 2015
    0 references
    MEDIAN_PXC50
    0 references
    MOLECULE_CHEMBL_ID
    0 references
    337b6c4100e096e1af5ba8e101fd83a3
    0 references
    0
    0 references
    0
    0 references
    1,026
    0 references
    73
    0 references
    0
    0 references
    1,025
    0 references
    0 references

    Identifiers

    0 references