GPCR_LigandClassify.py; a rigorous machine learning classifier for GPCR targeting compounds

Abstract The current study describes the construction of various ligand-based machine learning models to be used for drug-repurposing against the family of G-Protein Coupled Receptors (GPCRs). In building these models, we collected > 500,000 data points, encompassing experimentally measured molec...

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Auteurs principaux: Marawan Ahmed, Horia Jalily Hasani, Subha Kalyaanamoorthy, Khaled Barakat
Format: article
Langue:EN
Publié: Nature Portfolio 2021
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Accès en ligne:https://doaj.org/article/da2917f1c99f40dfa02c9cff21fddc59
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