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李卫华 封面图

李卫华 (Weihua Li)

school of medicine

53H指数
322论文数
1.5W被引数
收录论文 169
发表时间
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Fluor-tools: an integrated platform for dye property prediction and structure optimizationFluor-tools:一个用于染料性质预测和结构优化的集成平台
err2025-11-10
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errOAAI
errWenxiang Song; Yuyang Zhang; Le Xiong; Xinmin Li; Jingwei Zhang; Guixia Liu; Weihua Li; Youjun Yang; Yun Tang
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Cocrystal Network-Based Recommendation: A Multi-Objective Random Walk-Based Network Model for Virtual Screening of Drug-Drug Cocrystals
err2025-10-01
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PREAI
errSong, Wenxiang; Wu, Juan; Zhou, Changda; Huang, Shengwen; She, Baigen; Liu, Guixia; Li, Weihua; Ren, Guobin; Zhu, Bin; Tang, Yun
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Cocry-pred: A Dynamic Resource Propagation Method for Cocrystal Prediction
err2025-03-01
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PREAI
errSong, Wenxiang; Peng, Ren; Yu, Hongbo; Zhan, Meiling; Liu, Guixia; Li, Weihua; Ren, Guobin; Zhu, Bin; Tang, Yun
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Fluor-Predictor: An Interpretable Tool for Multiproperty Prediction and Retrieval of Fluorescent Dyes
err2025-03-01
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PREAI
errSong, Wenxiang; Xiong, Le; Li, Xinmin; Zhang, Yuyang; Wang, Binya; Liu, Guixia; Li, Weihua; Yang, Youjun; Tang, Yun
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Prediction of Cytochrome P450 Substrates Using the Explainable Multitask Deep Learning Models
err2024-08-28
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PREAI
errFang, Jiaojiao; Tang, Yan; Gong, Changda; Huang, Zejun; Feng, Yanjun; Liu, Guixia; Tang, Yun; Li, Weihua
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研究方向

蛋白质/酶的计算模拟和药物设计人工智能方法在药物发现和设计中的应用人工智能药物设计蛋白质/酶计算模拟药物代谢化合物ADMET性质预测核受体药物发现作为项目骨干参与国家重点研发计划课题和新药创制重大专项课题【近期主要论文】药物内在清除率预测分子指纹与图表示学习框架多任务模型P450诱导剂预测正-无标签学习CypGEM图变换模型预测细胞色素P450介导的代谢位点药代动力学参数预测多保真深度学习框架UDP-葡萄糖醛酸转移酶介导的药物代谢预测Multimodal deep learning frameworkPrediction of oral pharmacokinetic parameters子图增强扩散模型基于结构的三维分子生成CYP3A4配体结合位点分子动力学模拟溶剂探针细胞色素P450底物预测可解释多任务深度学习模型CYP3A4底物代谢位点预测分子对接Machine learningcytochrome P450 inhibitorscytochrome P450 substrates肝脏微粒体稳定性预测机器学习预测CYP2C8抑制CYP2C9 structural modelssite of metabolism prediction咪达唑仑代谢的同源协同作用细胞色素P450 3A4计算研究细胞色素P450 2B4结构塑性与动力学法尼醇X受体变构激活机制计算化学更多论文