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CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks
We present a novel and interpretable approach for predicting small-molecule binding affinities using context explanation networks (CENs). Given the specific structure of a protein/ligand complex, our CENsible scoring function uses a deep convolutional neural network to predict the contributions of p...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Cold Spring Harbor Laboratory
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10614872/ https://www.ncbi.nlm.nih.gov/pubmed/37904961 http://dx.doi.org/10.1101/2023.10.18.562959 |