Soojung Yang, Doyeong Hwang, Seul Lee, Seongok Ryu, Sung Ju Hwang. Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation. In Marc'Aurelio Ranzato, Alina Beygelzimer, Yann N. Dauphin, Percy Liang, Jennifer Wortman Vaughan, editors, Advances in Neural Information Processing Systems 34: Annual Conference on Neural Information Processing Systems 2021, NeurIPS 2021, December 6-14, 2021, virtual. pages 7924-7936, 2021. [doi]
Abstract is missing.