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DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design
[Image: see text] The field of machine learning for drug discovery is witnessing an explosion of novel methods. These methods are often benchmarked on simple physicochemical properties such as solubility or general druglikeness, which can be readily computed. However, these properties are poor repre...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9364321/ https://www.ncbi.nlm.nih.gov/pubmed/35849793 http://dx.doi.org/10.1021/acs.jcim.1c01334 |