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QSAR-TID-11589 - MaRDI portal

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QSAR-TID-11589

From MaRDI portal
Dataset:6034918



OpenML3797MaRDI QIDQ6034918

OpenML dataset with id 3797

Author name not available (Why is that?)

Full work available at URL: https://api.openml.org/data/v1/download/1675595/QSAR-TID-11589.sparse_arff

Upload date: 6 October 2015



Dataset Characteristics

Number of classes: 0
Number of features: 1,026 (numeric: 1,025, symbolic: 1 and in total binary: 0 )
Number of instances: 82
Number of instances with missing values: 0
Number of missing values: 0

Description

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: 11589, and it has 82 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.






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