Quantitative Structure–Activity Relationship Machine Learning Models and their Applications for Identifying Viral 3CLpro- and RdRp-Targeting Compounds as Potential Therapeutics for COVID-19 and Related Viral Infections

[Image: see text] In response to the ongoing COVID-19 pandemic, there is a worldwide effort being made to identify potential anti-SARS-CoV-2 therapeutics. Here, we contribute to these efforts by building machine-learning predictive models to identify novel drug candidates for the viral targets 3 chy...

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Detalles Bibliográficos
Autores principales: Ivanov, Julian, Polshakov, Dmitrii, Kato-Weinstein, Junko, Zhou, Qiongqiong, Li, Yingzhu, Granet, Roger, Garner, Linda, Deng, Yi, Liu, Cynthia, Albaiu, Dana, Wilson, Jeffrey, Aultman, Christopher
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7571315/
https://www.ncbi.nlm.nih.gov/pubmed/33134697
http://dx.doi.org/10.1021/acsomega.0c03682

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