Advancing ADMET prediction for major CYP450 isoforms: graph-based models, limitations, and future directions
Abstract Understanding Cytochrome P450 (CYP) enzyme-mediated metabolism is critical for accurate Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) predictions, which play a pivotal role in drug discovery. Traditional approaches, while foundational, often face challenges related t...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2025-07-01
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| Series: | BioMedical Engineering OnLine |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s12938-025-01412-6 |
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