A virtual drug-screening approach to conquer huge chemical libraries

A computational method has been devised to identify drug-candidate molecules from a library of billions of molecules using 100 times less computational power than is used by standard methods.

Detalles Bibliográficos
Main Authors: Deane, C, Mokaya, M
Formato: Journal article
Idioma:English
Publicado: Springer Nature 2021
Descripción
Summary:A computational method has been devised to identify drug-candidate molecules from a library of billions of molecules using 100 times less computational power than is used by standard methods.