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Molecular representations in AI-driven drug discovery: a review and practical guide

The technological advances of the past century, marked by the computer revolution and the advent of high-throughput screening technologies in drug discovery, opened the path to the computational analysis and visualization of bioactive molecules. For this purpose, it became necessary to represent mol...

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Detalhes bibliográficos
Publicado no:J Cheminform
Main Authors: David, Laurianne, Thakkar, Amol, Mercado, Rocío, Engkvist, Ola
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7495975/
https://ncbi.nlm.nih.gov/pubmed/33431035
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00460-5
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