QSAR-TID-12752 (Q6034366)

From MaRDI portal





OpenML dataset with id 3237
Language Label Description Also known as
default for all languages
No label defined
    English
    QSAR-TID-12752
    OpenML dataset with id 3237

      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: 12752, and it has 49 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
      70b421719eb0d2440e698e711d9ec29a
      0 references
      0
      0 references
      0
      0 references
      1,026
      0 references
      49
      0 references
      0
      0 references
      1,025
      0 references
      0 references

      Identifiers

      0 references