Asahi Kasei Pharma's applications of AI/machine learning for drug discovery

Abstract

Recently Artificial Intelligence is attracting attention not only Computer Vision but also Drug Discovery.  We have been using de novo molecular design system.  The system can propose molecules but can’t propose synthetic route.  There is a problem that de novo molecular generator sometimes proposes synthetic infeasible compounds.  To address this issue, we tried to develop Computer Aided Retrosynthetic Analysis system.