DeepNC: a framework for drug-target interaction prediction with graph neural networks

The exploration of drug-target interactions (DTI) is an essential stage in the drug development pipeline. Thanks to the assistance of computational models, notably in the deep learning approach, scientists have been able to shorten the time spent on this stage. Widely practiced deep learning algorit...

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Bibliographic Details

Published in:	PeerJ
Main Authors:	Huu Ngoc Tran Tran, J. Joshua Thomas, Nurul Hashimah Ahamed Hassain Malim
Format:	Article
Language:	English
Published:	PeerJ Inc. 2022-05-01
Subjects:	Drug-target interaction Binding affinity Drug discovery Deep learning Graph neural networks Cheminformatics
Online Access:	https://peerj.com/articles/13163.pdf