ArkDTA: attention regularization guided by non-covalent interactions for explainable drug–target binding affinity prediction

MOTIVATION: Protein–ligand binding affinity prediction is a central task in drug design and development. Cross-modal attention mechanism has recently become a core component of many deep learning models due to its potential to improve model explainability. Non-covalent interactions (NCIs), one of th...

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Detalles Bibliográficos
Autores principales: Gim, Mogan, Choe, Junseok, Baek, Seungheun, Park, Jueon, Lee, Chaeeun, Ju, Minjae, Lee, Sumin, Kang, Jaewoo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Systems Biology and Networks
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10311339/
https://www.ncbi.nlm.nih.gov/pubmed/37387164
http://dx.doi.org/10.1093/bioinformatics/btad207

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10311339/
https://www.ncbi.nlm.nih.gov/pubmed/37387164
http://dx.doi.org/10.1093/bioinformatics/btad207

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