[ASAP] Topology-Based and Conformation-Based Decoys Database: An Unbiased Online Database for Training and Benchmarking Machine-Learning Scoring Functions

Journal of Medicinal ChemistryDOI: 10.1021/acs.jmedchem.3c00801

Source: Journal of Medicinal Chemistry - June 15, 2023 Category: Chemistry Authors: Xujun Zhang, Chao Shen, Tianyue Wang, Yu Kang, Dan Li, Peichen Pan, Jike Wang, Gaoang Wang, Yafeng Deng, Lei Xu, Dongsheng Cao, Tingjun Hou, and Zhe Wang Source Type: research