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...

Descripción completa

Detalles Bibliográficos
Autores principales: Bhatt, Roshni, Koes, David Ryan, Durrant, Jacob D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Cold Spring Harbor Laboratory 2023
Materias:
Article
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

Internet

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

Ejemplares similares