Machine Learning Scoring Functions for Drug Discovery from Experimental and Computer-Generated Protein–Ligand Structures: Towards Per-Target Scoring Functions

In recent years, machine learning has been proposed as a promising strategy to build accurate scoring functions for computational docking finalized to numerically empowered drug discovery. However, the latest studies have suggested that over-optimistic results had been reported due to the correlatio...

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Detalles Bibliográficos
Autores principales: Pellicani, Francesco, Dal Ben, Diego, Perali, Andrea, Pilati, Sebastiano
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9966217/
https://www.ncbi.nlm.nih.gov/pubmed/36838647
http://dx.doi.org/10.3390/molecules28041661

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9966217/
https://www.ncbi.nlm.nih.gov/pubmed/36838647
http://dx.doi.org/10.3390/molecules28041661

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