The implementation of multi-parameter optimization in the early stages of drug discovery programs is one of the key topical directions of Artificial Intelligence (AI) research in this field. Chemistry42 is a software platform for <i>de novo</i> small molecule design that integrates AI techniques with computational and medicinal chemistry methods. Chemistry42 is unique in its ability to generate novel molecular structures with predefined properties. This presentation will introduce you to Chemistry42 and show you how it facilitated the discovery of novel small molecule leads in several therapeutic areas

Multiple parameter optimization in the early stages of drug discovery - the future of AI in chemistry and drug design

ACS Spring Meeting 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.