RIKEN Center for Integrative Medical Sciences

Generalizing molecular design via flexible search space control

Abstract Recent advances in generative artificial intelligence have made in silico molecular design a powerful approach for exploring chemical space toward specific goals. However, despite the need for trial-and-error adjustment of generative strategies and reward formulations, m...

Immunomodulatory metabolites in rheumatic diseases

Low-molecular-weight metabolites are attracting attention as a group of molecules that play important roles in immune cell function. Recent studies have revealed that metabolites actively regulate immune cell differentiation and function rather than simply reflecting metabolic st...