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DeepCYP: an integrated deep learning web server for the holistic “pathway–site–product” prediction of CYP450 metabolism

May 2026 Yiling Zhou, Sen Yang, Xiaoli Wang, Yuanhang He, Yao Tian, Jiacai Yi, Yikun Wang, Youchao Deng, Dejun Jiang, Dongsheng Cao Nucleic Acids Research
CYP450 Drug Metabolism Deep Learning Web Server

DeepCYP is an integrated deep learning web server for the holistic prediction of CYP450-mediated drug metabolism. Rather than treating metabolism as a single isolated task, DeepCYP jointly addresses the “pathway–site–product” chain: inferring the metabolic pathway, localizing the site of metabolism, and generating the resulting metabolite within one unified online platform, supporting early-stage assessment of metabolic liabilities in drug discovery.