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Bio-activity prediction of drug candidate compounds targeting SARS-Cov-2 using machine learning approaches
The SARS-CoV-2 3CLpro protein is one of the key therapeutic targets of interest for COVID-19 due to its critical role in viral replication, various high-quality protein crystal structures, and as a basis for computationally screening for compounds with improved inhibitory activity, bioavailability,...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10479925/ https://www.ncbi.nlm.nih.gov/pubmed/37669264 http://dx.doi.org/10.1371/journal.pone.0288053 |