Combined substituent number utilized machine learning for the development of antimicrobial agent

Abstract The utilization of machine learning has a potential to improve the environment of the development of antimicrobial agents. For practical use of machine learning, it is important that the conversion of molecules information to an appropriate descriptor because too informative descriptor requ...

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Bibliographic Details
Main Authors: Keitaro Yamauchi, Hirotaka Nakatsuji, Takaaki Kamishima, Yoshitaka Koseki, Masaki Kubo, Hitoshi Kasai
Format: Article
Language:English
Published: Nature Portfolio 2024-02-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-024-53888-2