1 Public 1 active 2015-01-06T18:44:23Z 2015-01-06T18:44:23Z Sparse_ARFF MEDIAN_PXC50 https://www.openml.org/data/download/1675804/100995.arff 0 public QSAR-TID-100995 QSAR-TID-100995 **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 **Source**: MetaQSAR project - September 2015 **Please cite**: This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target TID: 100995, and it has 785 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. 1