Molecular generation by Fast Assembly of (Deep)SMILES fragments

Abstract Background In recent years, in silico molecular design is regaining interest. To generate on a computer molecules with optimized properties, scoring functions can be coupled with a molecular generator to design novel molecules with a desired property profile. Results In this article, a simp...

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Auteurs principaux: Francois Berenger, Koji Tsuda
Format: article
Langue:EN
Publié: BMC 2021
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Accès en ligne:https://doaj.org/article/5439dd3838a54210ab3db8f99d806114
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