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AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization

We here present AutoGrow4, an open-source program for semi-automated computer-aided drug discovery. AutoGrow4 uses a genetic algorithm to evolve predicted ligands on demand and so is not limited to a virtual library of pre-enumerated compounds. It is a useful tool for generating entirely novel drug-...

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Detalhes bibliográficos
Publicado no:J Cheminform
Main Authors: Spiegel, Jacob O., Durrant, Jacob D.
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7165399/
https://ncbi.nlm.nih.gov/pubmed/33431021
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00429-4
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