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

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

2022Computers in Biology and Medicine26 citationsDOI

Topics & Concepts

Convolutional neural networkCytochrome P450Mechanism (biology)Computer scienceGraphDrug interactionDrugComputational biologyMachine learningArtificial intelligenceChemistryPharmacologyMetabolismBiologyBiochemistryTheoretical computer sciencePhilosophyEpistemologyComputational Drug Discovery MethodsPharmacogenetics and Drug MetabolismAnalytical Chemistry and Chromatography
A unified GCNN model for predicting CYP450 inhibitors by using graph convolutional neural networks with attention mechanism | Litcius