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...

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Principais autores:	Xujun Zhang, Chao Shen, Dejun Jiang, Jintu Zhang, Qing Ye, Lei Xu, Tingjun Hou, Peichen Pan, Yu Kang
Formato:	Artigo
Idioma:	Inglês
Publicado:	BMC 2023-07-01
Series:	Journal of Cheminformatics
Assuntos:	Scoring function Machine learning Virtual screening Theory-based interaction energy component
Acceso en liña:	https://doi.org/10.1186/s13321-023-00731-x
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