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

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 molecular asso...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Ahmed, Marawan, Hasani, Horia Jalily, Kalyaanamoorthy, Subha, Barakat, Khaled
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8097070/
https://ncbi.nlm.nih.gov/pubmed/33947911
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-021-88939-5
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