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...
Main Authors: | , , , , , , |
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Format: | Article |
Language: | English |
Published: |
BMC
2024-01-01
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Series: | Journal of Cheminformatics |
Subjects: | |
Online Access: | https://doi.org/10.1186/s13321-023-00799-5 |