Large language models open new way of AI-assisted molecule design for chemists

Recent advancements in artificial intelligence (AI)-based molecular design methodologies have offered synthetic chemists new ways to design functional molecules with their desired properties. While various AI-based molecule generators have significantly advanced toward practical applications, their...

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Bibliographic Details
Published in:	Journal of cheminformatics Vol. 17; no. 1; pp. 36 - 11
Main Authors:	Ishida, Shoichi, Sato, Tomohiro, Honma, Teruki, Terayama, Kei
Format:	Journal Article
Language:	English
Published:	Cham Springer International Publishing 24.03.2025 Springer Nature B.V BMC
Subjects:	Antineoplastic drugs Artificial intelligence Chemistry Chemistry and Materials Science Chemists Chromophores Computational Biology/Bioinformatics Computer Applications in Chemistry Design Documentation and Information in Chemistry Drug development Growth factors Improving Reproducibility and Reusability in the Journal of Cheminformatics Large language models Multiple objective analysis Open source software Skills Software Theoretical and Computational Chemistry
ISSN:	1758-2946, 1758-2946
Online Access:	Get full text
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