Cargando…
Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding
Many recently proposed structure-based virtual screening models appear to be able to accurately distinguish high affinity binders from non-binders. However, several recent studies have shown that they often do so by exploiting ligand-specific biases in the dataset, rather than identifying favourable...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2023
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10509074/ https://www.ncbi.nlm.nih.gov/pubmed/37726844 http://dx.doi.org/10.1186/s13321-023-00755-3 |