A generalized protein–ligand scoring framework with balanced scoring, docking, ranking and screening powers

Applying machine learning algorithms to protein–ligand scoring functions has aroused widespread attention in recent years due to the high predictive accuracy and affordable computational cost. Nevertheless, most machine learning-based scoring functions are only applicable to a specific task, e.g., b...

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Detalles Bibliográficos
Autores principales: Shen, Chao, Zhang, Xujun, Hsieh, Chang-Yu, Deng, Yafeng, Wang, Dong, Xu, Lei, Wu, Jian, Li, Dan, Kang, Yu, Hou, Tingjun, Pan, Peichen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10395315/
https://www.ncbi.nlm.nih.gov/pubmed/37538816
http://dx.doi.org/10.1039/d3sc02044d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10395315/
https://www.ncbi.nlm.nih.gov/pubmed/37538816
http://dx.doi.org/10.1039/d3sc02044d

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