no code implementations • NeurIPS 2021 • Huaxiu Yao, Ying WEI, Long-Kai Huang, Ding Xue, Junzhou Huang, Zhenhui (Jessie) Li
More recently, there has been a surge of interest in employing machine learning approaches to expedite the drug discovery process where virtual screening for hit discovery and ADMET prediction for lead optimization play essential roles.