AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data

AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data

Abstract Developing compounds with novel structures is important for the production of new drugs. From an intellectual perspective, confirming the patent status of newly developed compounds is essential, particularly for pharmaceutical companies. The generation of a large number of compounds has bee...

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Bibliographic Details
Main Authors: Yugo Shimizu, Masateru Ohta, Shoichi Ishida, Kei Terayama, Masanori Osawa, Teruki Honma, Kazuyoshi Ikeda
Format: Article
Language:English
Published: BMC 2023-12-01
Series:Journal of Cheminformatics
Subjects:
Patented compounds
Drug discovery
Database
Compound search
Molecular generation
Reward function
Online Access:https://doi.org/10.1186/s13321-023-00791-z

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