Digital Chemist: Reinforcement Learning for Inverse Molecular Design

19.03. | 11:45 - 12:15 | data.stage

Inverse molecular design is the process of optimizing a target molecule given a number of physical properties. Given the advent of modern reinforcement learning it is now possible to train agents to solve this tasks and supporting chemist in their daily work.


Immanuel Schweizer (Merck KGaA)