Improving the accuracy of prediction models for small datasets of Cytochrome P450 inhibition with deep learning

Improving the accuracy of prediction models for small datasets of Cytochrome P450 inhibition with deep learning

Abstract The cytochrome P450 (CYP) superfamily metabolises a wide range of compounds; however, drug-induced CYP inhibition can lead to adverse interactions. Identifying potential CYP inhibitors is crucial for safe drug administration. This study investigated the application of deep learning techniqu...

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Bibliographic Details
Main Authors: Elpri Eka Permadi, Reiko Watanabe, Kenji Mizuguchi
Format: Article
Language:English
Published: BMC 2025-04-01
Series:Journal of Cheminformatics
Subjects:
Cytochrome P450
Deep learning
Small dataset
Multitask
Fine-tuning
Missing values
Online Access:https://doi.org/10.1186/s13321-025-01015-2
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https://doi.org/10.1186/s13321-025-01015-2

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