TB-IECS: an accurate machine learning-based scoring function for virtual screening

Abstract Machine learning-based scoring functions (MLSFs) have shown potential for improving virtual screening capabilities over classical scoring functions (SFs). Due to the high computational cost in the process of feature generation, the numbers of descriptors used in MLSFs and the characterizati...

Полное описание

Библиографические подробности

Главные авторы:	Xujun Zhang, Chao Shen, Dejun Jiang, Jintu Zhang, Qing Ye, Lei Xu, Tingjun Hou, Peichen Pan, Yu Kang
Формат:	Artigo
Язык:	Inglês
Опубликовано:	BMC 2023-07-01
Серии:	Journal of Cheminformatics
Предметы:	Scoring function Machine learning Virtual screening Theory-based interaction energy component
Online-ссылка:	https://doi.org/10.1186/s13321-023-00731-x
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