andrew tom

Abstract ReLink-PyB, an integrated computational framework that synergistically combines reinforcement learning (RL), molecular dynamics (MD) simulations, and quantum-level analyses, was developed to discover next-generation Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors. This study proposes a new series of non-DSM compounds the PyB Series having Pyrazole-benzene core, generated by this approach.