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MO-MEMES: A method for accelerating virtual screening using multi-objective Bayesian optimization

The pursuit of potential inhibitors for novel targets has become a very important problem especially over the last 2 years with the world in the midst of the COVID-19 pandemic. This entails performing high throughput screening exercises on drug libraries to identify potential “hits”. These hits are...

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Detalles Bibliográficos
Autores principales: Mehta, Sarvesh, Goel, Manan, Priyakumar, U. Deva
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9537730/
https://www.ncbi.nlm.nih.gov/pubmed/36213671
http://dx.doi.org/10.3389/fmed.2022.916481