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Machine-learning scoring functions trained on complexes dissimilar to the test set already outperform classical counterparts on a blind benchmark
The superior performance of machine-learning scoring functions for docking has caused a series of debates on whether it is due to learning knowledge from training data that are similar in some sense to the test data. With a systematically revised methodology and a blind benchmark realistically mimic...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8575004/ https://www.ncbi.nlm.nih.gov/pubmed/34169324 http://dx.doi.org/10.1093/bib/bbab225 |