PMF-CPI: assessing drug selectivity with a pretrained multi-functional model for compound–protein interactions

PMF-CPI: assessing drug selectivity with a pretrained multi-functional model for compound–protein interactions

Abstract Compound–protein interactions (CPI) play significant roles in drug development. To avoid side effects, it is also crucial to evaluate drug selectivity when binding to different targets. However, most selectivity prediction models are constructed for specific targets with limited data. In th...

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Bibliographic Details
Main Authors: Nan Song, Ruihan Dong, Yuqian Pu, Ercheng Wang, Junhai Xu, Fei Guo
Format: Article
Language:English
Published: BMC 2023-10-01
Series:Journal of Cheminformatics
Subjects:
Compound–protein interaction
Drug selectivity
Deep learning
Pretrained model
Online Access:https://doi.org/10.1186/s13321-023-00767-z

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