TY - DATA T1 - Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling (Dataset) AU - van Westen, Gerard DO - 10.4121/UUID:151F30D7-5E72-4C8C-BB5A-2459656AAB63 UR - https://data.4tu.nl/articles/_/12680963/1 AB - Proteochemometric dataset of compounds active on the mGluR receptors of multiple species (human, rat, mouse). Bioactivity data was obtained from ChEMBL release 19. The dataset includes chemical descriptors for ligands and protein descriptors for protein targets. Data can be linked to other resources using Uniprot Accession (proteins) and InChiKey (ligands). KW - Medicinal and Biomolecular Chemistry KW - FOS: Chemical sciences KW - Cheminformatics KW - Data mining KW - Drug discovery KW - Machine learning KW - Proteochemometrics PY - 2017 PB - Leiden University LA - en ER -