1 code implementation • ICML 2020 • Sai Krishna Gottipati, Boris Sattarov, Sufeng. Niu, Hao-Ran Wei, Yashaswi Pathak, Shengchao Liu, Simon Blackburn, Karam Thomas, Connor Coley, Jian Tang, Sarath Chandar, Yoshua Bengio
In this work, we propose a novel reinforcement learning (RL) setup for drug discovery that addresses this challenge by embedding the concept of synthetic accessibility directly into the de novo compound design system.