MLGL-MP: a Multi-Label Graph Learning framework enhanced by pathway interdependence for Metabolic Pathway prediction
MOTIVATION: During lead compound optimization, it is crucial to identify pathways where a drug-like compound is metabolized. Recently, machine learning-based methods have achieved inspiring progress to predict potential metabolic pathways for drug-like compounds. However, they neglect the knowledge...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
NLM (Medline)
2022
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| Online Access: | View Fulltext in Publisher |