REDIAL-2020: A suite of machine learning models to estimate Anti-SARS-CoV-2 activities

Strategies for drug discovery and repositioning are an urgent need with respect to COVID-19. We developed “REDIAL-2020”, a suite of machine learning models for estimating small molecule activity from molecular structure, for a range of SARS-CoV-2 related assays. Each classifier is based on three dis...

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Detalles Bibliográficos
Autores principales: Govinda, KC, Bocci, Giovanni, Verma, Srijan, Hassan, Mahmudulla, Holmes, Jayme, Yang, Jeremy J., Sirimulla, Suman, Oprea, Tudor I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: ChemRxiv 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7668752/
https://www.ncbi.nlm.nih.gov/pubmed/33200119
http://dx.doi.org/10.26434/chemrxiv.12915779

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7668752/
https://www.ncbi.nlm.nih.gov/pubmed/33200119
http://dx.doi.org/10.26434/chemrxiv.12915779

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