Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets

Zhe Wang 0041, Haiyang Zhong, Jintu Zhang, Peichen Pan, Dong Wang, Huanxiang Liu, Xiaojun Yao, Tingjun Hou, Yu Kang 0002. Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets. Journal of Chemical Information and Computer Sciences, 63(21):6525-6536, November 2023. [doi]

Abstract

Abstract is missing.