Explainable deep drug–target representations for binding affinity prediction

Explainable deep drug–target representations for binding affinity prediction

Abstract Background Several computational advances have been achieved in the drug discovery field, promoting the identification of novel drug–target interactions and new leads. However, most of these methodologies have been overlooking the importance of providing explanations to the decision-making...

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Bibliographic Details
Main Authors: Nelson R. C. Monteiro, Carlos J. V. Simões, Henrique V. Ávila, Maryam Abbasi, José L. Oliveira, Joel P. Arrais
Format: Article
Language:English
Published: BMC 2022-06-01
Series:BMC Bioinformatics
Subjects:
Drug–target interaction
Binding affinity
Explainable deep learning
Convolutional neural network
Online Access:https://doi.org/10.1186/s12859-022-04767-y

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