1 code implementation • 24 Jan 2022 • Yuanfeng Ji, Lu Zhang, Jiaxiang Wu, Bingzhe Wu, Long-Kai Huang, Tingyang Xu, Yu Rong, Lanqing Li, Jie Ren, Ding Xue, Houtim Lai, Shaoyong Xu, Jing Feng, Wei Liu, Ping Luo, Shuigeng Zhou, Junzhou Huang, Peilin Zhao, Yatao Bian
AI-aided drug discovery (AIDD) is gaining increasing popularity due to its promise of making the search for new pharmaceuticals quicker, cheaper and more efficient.
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.