Ksenia Korovina, Sailun Xu, Kirthevasan Kandasamy, Willie Neiswanger, Barnabás Póczos, Jeff Schneider, Eric P. Xing. ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations. In Silvia Chiappa, Roberto Calandra, editors, The 23rd International Conference on Artificial Intelligence and Statistics, AISTATS 2020, 26-28 August 2020, Online [Palermo, Sicily, Italy]. Volume 108 of Proceedings of Machine Learning Research, pages 3393-3403, PMLR, 2020. [doi]
Abstract is missing.