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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Bibliographic Details
Main Authors: Francois Berenger, Koji Tsuda
Format: Article
Language:English
Published: BMC 2021-11-01
Series:Journal of Cheminformatics
Subjects:
Online Access:https://doi.org/10.1186/s13321-021-00566-4

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