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PIGNet: a physics-informed deep learning model toward generalized drug–target interaction predictions

Recently, deep neural network (DNN)-based drug–target interaction (DTI) models were highlighted for their high accuracy with affordable computational costs. Yet, the models' insufficient generalization remains a challenging problem in the practice of in silico drug discovery. We propose two key...

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Detalles Bibliográficos
Autores principales: Moon, Seokhyun, Zhung, Wonho, Yang, Soojung, Lim, Jaechang, Kim, Woo Youn
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8966633/
https://www.ncbi.nlm.nih.gov/pubmed/35432900
http://dx.doi.org/10.1039/d1sc06946b