Large-scale comparison of machine learning methods for profiling prediction of kinase inhibitors

Large-scale comparison of machine learning methods for profiling prediction of kinase inhibitors

Abstract Conventional machine learning (ML) and deep learning (DL) play a key role in the selectivity prediction of kinase inhibitors. A number of models based on available datasets can be used to predict the kinase profile of compounds, but there is still controversy about the advantages and disadv...

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Bibliographic Details
Main Authors: Jiangxia Wu, Yihao Chen, Jingxing Wu, Duancheng Zhao, Jindi Huang, MuJie Lin, Ling Wang
Format: Article
Language:English
Published: BMC 2024-01-01
Series:Journal of Cheminformatics
Subjects:
Kinase profiling
Machine learning
Deep learning
Molecular fingerprints
Molecular graphs
Online Access:https://doi.org/10.1186/s13321-023-00799-5

Internet

https://doi.org/10.1186/s13321-023-00799-5

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