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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...
| Autores principales: | , , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
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| Materias: | |
| 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 |