A unified GCNN model for predicting CYP450 inhibitors by using graph convolutional neural networks with attention mechanism

Author:

Qiu Minyao,Liang Xiaoqi,Deng Siyao,Li Yufang,Ke Yanlan,Wang Pingqing,Mei HuORCID

Publisher

Elsevier BV

Subject

Health Informatics,Computer Science Applications

Reference51 articles.

1. Pharmacogenomics: translating functional genomics into rational therapeutics;Evans;Science,1999

2. QSAR of cytochrome inhibitors;Roy;Expet Opin. Drug Metabol. Toxicol.,2009

3. The effect of cytochrome P450 metabolism on drug response, interactions, and adverse effects;Lynch;Am. Fam. Physician,2007

4. The role of drug metabolizing enzymes in clearance;Di;Expet Opin. Drug Metabol. Toxicol.,2014

5. Structural features of cytochromes P450 and ligands that affect drug metabolism as revealed by X-ray crystallography and NMR;Gay;Future Med. Chem.,2010

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