MolWorld: Molecule World Models for Actionable Molecular Optimization

ArXi:2605.08954v1 Announce Type: cross Molecular optimization in drug discovery aims to discover molecules with improved target properties, but practical lead optimization often requires than high predicted scores. A useful candidate should also be actionable: it should be reachable from known molecules through valid local structural transformations, so that it can be interpreted as a plausible revision within an evolving chemical series.