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 been made possible because of the recent advances in artificial intelligence (AI). However, confirming the patent status of these generated molecules has been a challenge because there are no free and easy-to-use tools that can be used to determine the novelty of the generated compounds in terms of patents in a timely manner; additionally, there are no appropriate reference databases for pharmaceutical patents in the world. In this study, two public databases, SureChEMBL and Google Patents Public Datasets,

SUBMITTER: Shimizu Y 

PROVIDER: S-EPMC10716930 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature