The consolidation of open-source computer-assisted chemical synthesis data into a comprehensive database.

ABSTRACT: Over the past decade, computer-assisted chemical synthesis has resurfaced as a prominent research subject. Even though the idea of utilizing computers to assist chemical synthesis has existed for nearly as long as computers themselves, the inherent complexity repeatedly exceeded the available resources. However, recent machine learning approaches have exhibited the potential to break this tendency. The performance of such approaches is heavily dependent on data that suffers from limited quantity, quality, visibility, and accessibility, posing significant challenges to potential scientific breakthroughs. This research addresses these issues by consolidating all relevant open-source computer-assisted chemical synthesis data into a comprehensive database, providing a practical overview of the

SUBMITTER: Hasic H 

PROVIDER: S-EPMC12781325 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature