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PlayMolecule Glimpse: Understanding Protein–Ligand Property Predictions with Interpretable Neural Networks
[Image: see text] Deep learning has been successfully applied to structure-based protein–ligand affinity prediction, yet the black box nature of these models raises some questions. In a previous study, we presented K(DEEP), a convolutional neural network that predicted the binding affinity of a give...
| 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/PMC8790755/ https://www.ncbi.nlm.nih.gov/pubmed/34978201 http://dx.doi.org/10.1021/acs.jcim.1c00691 |