Weihua Li - RankMe

61 papers Journal 61

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Prediction of Intravenous Pharmacokinetic Parameters across Multiple Species by a Multifidelity Deep Learning Framework. J. Chem. Inf. Model. Jiaojiao Fang, Changda Gong, Keyun Zhu, Xiang Li, Chen Yang, Zhixing Zhang, Guixia Liu, Yun Tang, Weihua Li
2026	J	`jnl`	UGTformer: a pretrained graph transformer model for predicting UDP-glucuronosyltransferase-mediated drug metabolism. J. Cheminformatics Meiling Zhan, Xiang Li, Le Xiong, Wenxiang Song, Jiaojiao Fang, Guixia Liu, Yun Tang, Weihua Li
2025	J	`jnl`	BBANsh: a deep learning architecture based on BERT and bilinear attention networks to identify potent shRNA. Briefings Bioinform. Yuanting Chen, Long Chen, Xinxin Yu, Weihua Li, Yun Tang, Guixia Liu
2025	J	`jnl`	Cocry-pred: A Dynamic Resource Propagation Method for Cocrystal Prediction. J. Chem. Inf. Model. Wenxiang Song, Ren Peng, Hongbo Yu, Meiling Zhan, Guixia Liu, Weihua Li, Guobin Ren, Bin Zhu, Yun Tang
2025	J	`jnl`	Computational Insights into the Regioselective Hydroxylation of Nirmatrelvir Metabolized by Cytochrome P450 3A4. J. Chem. Inf. Model. Yan Tang, Jiaojiao Fang, Guixia Liu, Yun Tang, Weihua Li
2025	J	`jnl`	ERRα-Predictor: A Framework of Ensemble Models for Prediction of ERRα Binders, Antagonists, and Agonists Using Artificial Intelligence. J. Chem. Inf. Model. Le Xiong, Jiahao Xu, Hongbo Yu, Weihua Li, Xinmin Li, Wenxiang Song, Jingwei Zhang, Yun Tang, Guixia Liu
2025	J	`jnl`	Fluor-Predictor: An Interpretable Tool for Multiproperty Prediction and Retrieval of Fluorescent Dyes. J. Chem. Inf. Model. Wenxiang Song, Le Xiong, Xinmin Li, Yuyang Zhang, Binya Wang, Guixia Liu, Weihua Li, Youjun Yang, Yun Tang
2025	J	`jnl`	SGEDiff: a subgraph-enriched diffusion model for structure-based 3D molecular generation. J. Cheminformatics Changda Gong, Jiaojiao Fang, Yan Tang, Guixia Liu, Yun Tang, Weihua Li
2025	J	`jnl`	TCnet: A Novel Strategy to Predict Target Combination of Alzheimer's Disease via Network-Based Methods. J. Chem. Inf. Model. Chengyuan Yue, Baiyu Chen, Fei Pan, Ze Wang, Hongbo Yu, Guixia Liu, Weihua Li, Rui Wang, Yun Tang
2024	J	`jnl`	DBPP-Predictor: a novel strategy for prediction of chemical drug-likeness based on property profiles. J. Cheminformatics Yaxin Gu, Yimeng Wang, Keyun Zhu, Weihua Li, Guixia Liu, Yun Tang
2024	J	`jnl`	MetaPredictor: Briefings Bioinform. Keyun Zhu, Mengting Huang, Yimeng Wang, Yaxin Gu, Weihua Li, Guixia Liu, Yun Tang
2024	J	`jnl`	Network-Based Methods and Their Applications in Drug Discovery. J. Chem. Inf. Model. Zhuohang Yu, Zengrui Wu, Ze Wang, Yimeng Wang, Moran Zhou, Weihua Li, Guixia Liu, Yun Tang
2024	J	`jnl`	ToxGIN: an Briefings Bioinform. Qiule Yu, Zhixing Zhang, Guixia Liu, Weihua Li, Yun Tang
2024	J	`jnl`	Unraveling the Ligand-Binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes. J. Chem. Inf. Model. Yanjun Feng, Changda Gong, Jieyu Zhu, Guixia Liu, Yun Tang, Weihua Li
2024	J	`jnl`	XGraphCDS: An explainable deep learning model for predicting drug sensitivity from gene pathways and chemical structures. Comput. Biol. Medicine Yimeng Wang, Xinxin Yu, Yaxin Gu, Weihua Li, Keyun Zhu, Long Chen, Yun Tang, Guixia Liu
2024	J	`jnl`	mtADENet: A novel interpretable method integrating multiple types of network-based inference approaches for prediction of adverse drug events. Comput. Biol. Medicine Zhuohang Yu, Zengrui Wu, Moran Zhou, Long Chen, Weihua Li, Guixia Liu, Yun Tang
2023	J	`jnl`	ACP-MLC: A two-level prediction engine for identification of anticancer peptides and multi-label classification of their functional types. Comput. Biol. Medicine Hua Deng, Meng Ding, Yimeng Wang, Weihua Li, Guixia Liu, Yun Tang
2023	J	`jnl`	Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods. J. Cheminformatics Chaofeng Lou, Hongbin Yang, Hua Deng, Mengting Huang, Weihua Li, Guixia Liu, Philip W. Lee, Yun Tang
2023	J	`jnl`	Identification of vital chemical information via visualization of graph neural networks. Briefings Bioinform. Yimeng Wang, Mengting Huang, Hua Deng, Weihua Li, Zengrui Wu, Yun Tang, Guixia Liu
2023	J	`jnl`	Investigation of Anti-Alzheimer's Mechanisms of Sarsasapogenin Derivatives by Network-Based Combining Structure-Based Methods. J. Chem. Inf. Model. Moran Zhou, Jiamin Sun, Zhuohang Yu, Zengrui Wu, Weihua Li, Guixia Liu, Lei Ma, Rui Wang, Yun Tang
2023	J	`jnl`	Pharmaceutical Cocrystal Discovery via 3D-SMINBR: A New Network Recommendation Tool Augmented by 3D Molecular Conformations. J. Chem. Inf. Model. Lulu Zheng, Bin Zhu, Zengrui Wu, Mei Guo, Jinyao Chen, Minghuang Hong, Guixia Liu, Weihua Li, Guobin Ren, Yun Tang
2023	J	`jnl`	Prediction of Sites of Metabolism of CYP3A4 Substrates Utilizing Docking-Derived Geometric Features. J. Chem. Inf. Model. Yanjun Feng, Changda Gong, Jieyu Zhu, Guixia Liu, Yun Tang, Weihua Li
2022	J	`jnl`	A multitask GNN-based interpretable model for discovery of selective JAK inhibitors. J. Cheminformatics Yimeng Wang, Yaxin Gu, Chaofeng Lou, Yuning Gong, Zengrui Wu, Weihua Li, Yun Tang, Guixia Liu
2022	J	`jnl`	ADENet: a novel network-based inference method for prediction of drug adverse events. Briefings Bioinform. Zhuohang Yu, Zengrui Wu, Weihua Li, Guixia Liu, Yun Tang
2022	J	`jnl`	Discovery of New Estrogen-Related Receptor α Agonists via a Combination Strategy Based on Shape Screening and Ensemble Docking. J. Chem. Inf. Model. Dongping Li, Kexin Jiang, Dan Teng, Zengrui Wu, Weihua Li, Yun Tang, Rui Wang, Guixia Liu
2022	J	`jnl`	IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method. J. Chem. Inf. Model. Chaofeng Lou, Hongbin Yang, Jiye Wang, Mengting Huang, Weihua Li, Guixia Liu, Philip W. Lee, Yun Tang
2022	J	`jnl`	In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network. J. Cheminformatics Mengting Huang, Chaofeng Lou, Zengrui Wu, Weihua Li, Philip W. Lee, Yun Tang, Guixia Liu
2022	J	`jnl`	Profiling prediction of nuclear receptor modulators with multi-task deep learning methods: toward the virtual screening. Briefings Bioinform. Jiye Wang, Chaofeng Lou, Guixia Liu, Weihua Li, Zengrui Wu, Yun Tang
2021	J	`jnl`	Discovery of Natural Products Targeting NQO1 via an Approach Combining Network-Based Inference and Identification of Privileged Substructures. J. Chem. Inf. Model. Zengrui Wu, Qiaohui Wang, Hongbin Yang, Jiye Wang, Weihua Li, Guixia Liu, Yi Yang, Yuzheng Zhao, Yun Tang
2021	J	`jnl`	Drug repositioning by prediction of drug's anatomical therapeutic chemical code via network-based inference approaches. Briefings Bioinform. Yayuan Peng, Manjiong Wang, Yixiang Xu, Zengrui Wu, Jiye Wang, Chao Zhang, Guixia Liu, Weihua Li, Jian Li, Yun Tang
2021	J	`jnl`	Homotropic Cooperativity of Midazolam Metabolism by Cytochrome P450 3A4: Insight from Computational Studies. J. Chem. Inf. Model. Junhao Li, Yue Chen, Yun Tang, Weihua Li, Yaoquan Tu
2021	J	`jnl`	MetaADEDB 2.0: a comprehensive database on adverse drug events. Bioinform. Zhuohang Yu, Zengrui Wu, Weihua Li, Guixia Liu, Yun Tang
2021	J	`jnl`	Pathway-Based Drug Repurposing with DPNetinfer: A Method to Predict Drug-Pathway Associations via Network-Based Approaches. J. Chem. Inf. Model. Jiye Wang, Zengrui Wu, Yayuan Peng, Weihua Li, Guixia Liu, Yun Tang
2021	J	`jnl`	SMINBR: An Integrated Network and Chemoinformatics Tool Specialized for Prediction of Two-Component Crystal Formation. J. Chem. Inf. Model. Lulu Zheng, Bin Zhu, Zengrui Wu, Fang Liang, Minghuang Hong, Guixia Liu, Weihua Li, Guobin Ren, Yun Tang
2020	J	`jnl`	Computational Insight into the Allosteric Activation Mechanism of Farnesoid X Receptor. J. Chem. Inf. Model. Yue Chen, Junhao Li, Zengrui Wu, Guixia Liu, Honglin Li, Yun Tang, Weihua Li
2020	J	`jnl`	Computational Insights into Molecular Activation and Positive Cooperative Mechanisms of FFAR1 Modulators. J. Chem. Inf. Model. Dan Teng, Jianhui Chen, Dongping Li, Zengrui Wu, Weihua Li, Yun Tang, Guixia Liu
2020	J	`jnl`	Dissecting the Structural Plasticity and Dynamics of Cytochrome P450 2B4 by Molecular Dynamics Simulations. J. Chem. Inf. Model. Junhao Li, Yang Zhou, Yun Tang, Weihua Li, Yaoquan Tu
2020	J	`jnl`	NetInfer: A Web Server for Prediction of Targets and Therapeutic and Adverse Effects via Network-Based Inference Methods. J. Chem. Inf. Model. Zengrui Wu, Yayuan Peng, Zhuohang Yu, Weihua Li, Guixia Liu, Yun Tang
2019	J	`jnl`	Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions. J. Chem. Inf. Model. Yingchun Cai, Hongbin Yang, Weihua Li, Guixia Liu, Philip W. Lee, Yun Tang
2019	J	`jnl`	Correction to "admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties". J. Chem. Inf. Model. Feixiong Cheng, Weihua Li, Yadi Zhou, Jie Shen, Zengrui Wu, Guixia Liu, Philip W. Lee, Yun Tang
2019	J	`jnl`	In Silico Prediction of Endocrine Disrupting Chemicals Using Single-Label and Multilabel Models. J. Chem. Inf. Model. Lixia Sun, Hongbin Yang, Yingchun Cai, Weihua Li, Guixia Liu, Yun Tang
2019	J	`jnl`	Insights into the antineoplastic mechanism of Chelidonium majus via systems pharmacology approach. Quant. Biol. Xinzhe Xiao, Zehui Chen, Zengrui Wu, Tianduanyi Wang, Weihua Li, Guixia Liu, Bo Zhang, Yun Tang
2019	J	`jnl`	admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties. Bioinform. Hongbin Yang, Chaofeng Lou, Lixia Sun, Jie Li, Yingchun Cai, Zhuang Wang, Weihua Li, Guixia Liu, Yun Tang
2018	J	`jnl`	ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping. J. Chem. Inf. Model. Hongbin Yang, Lixia Sun, Zhuang Wang, Weihua Li, Guixia Liu, Yun Tang
2018	J	`jnl`	Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods. J. Chem. Inf. Model. Yingchun Cai, Hongbin Yang, Weihua Li, Guixia Liu, Philip W. Lee, Yun Tang
2017	J	`jnl`	Computational Investigation of Ligand Binding to the Peripheral Site in CYP3A4: Conformational Dynamics and Inhibitor Discovery. J. Chem. Inf. Model. Hanwen Du, Junhao Li, Yingchun Cai, Hongxiao Zhang, Guixia Liu, Yun Tang, Weihua Li
2017	J	`jnl`	SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug-target interactions and drug repositioning. Briefings Bioinform. Zengrui Wu, Feixiong Cheng, Jie Li, Weihua Li, Guixia Liu, Yun Tang
2013	J	`jnl`	Adverse Drug Events: Database Construction and in Silico Prediction. J. Chem. Inf. Model. Feixiong Cheng, Weihua Li, Xichuan Wang, Yadi Zhou, Zengrui Wu, Jie Shen, Yun Tang
2013	J	`jnl`	Exploring the Desumoylation Process of SENP1: A Study Combined MD Simulations with QM/MM Calculations on SENP1-SUMO1-RanGAP1. J. Chem. Inf. Model. Ting Shi, Yuhui Han, Weihua Li, Yanlong Zhao, Yaqin Liu, Zhimin Huang, Shaoyong Lu, Jian Zhang
2013	J	`jnl`	Prediction of Polypharmacological Profiles of Drugs by the Integration of Chemical, Side Effect, and Therapeutic Space. J. Chem. Inf. Model. Feixiong Cheng, Weihua Li, Zengrui Wu, Xichuan Wang, Chen Zhang, Jie Li, Guixia Liu, Yun Tang
2012	J	`jnl`	In Silico Assessment of Chemical Biodegradability. J. Chem. Inf. Model. Feixiong Cheng, Yutaka Ikenaga, Yadi Zhou, Yue Yu, Weihua Li, Jie Shen, Zheng Du, Lei Chen, Congying Xu, Guixia Liu, Philip W. Lee, Yun Tang
2012	J	`jnl`	In silico Prediction of Chemical Ames Mutagenicity. J. Chem. Inf. Model. Congying Xu, Feixiong Cheng, Lei Chen, Zheng Du, Weihua Li, Guixia Liu, Philip W. Lee, Yun Tang
2012	J	`jnl`	Performance Evaluation of 2D Fingerprint and 3D Shape Similarity Methods in Virtual Screening. J. Chem. Inf. Model. Guoping Hu, Guanglin Kuang, Wen Xiao, Weihua Li, Guixia Liu, Yun Tang
2012	J	`jnl`	Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference. PLoS Comput. Biol. Feixiong Cheng, Chuang Liu, Jing Jiang, Weiqiang Lu, Weihua Li, Guixia Liu, Wei-Xing Zhou, Jin Huang, Yun Tang
2012	J	`jnl`	Unbinding Pathways of GW4064 from Human Farnesoid X Receptor As Revealed by Molecular Dynamics Simulations. J. Chem. Inf. Model. Weihua Li, Jing Fu, Feixiong Cheng, Mingyue Zheng, Jian Zhang, Guixia Liu, Yun Tang
2012	J	`jnl`	admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties. J. Chem. Inf. Model. Feixiong Cheng, Weihua Li, Yadi Zhou, Jie Shen, Zengrui Wu, Guixia Liu, Philip W. Lee, Yun Tang
2011	J	`jnl`	ASD: a comprehensive database of allosteric proteins and modulators. Nucleic Acids Res. Zhimin Huang, Liang Zhu, Yan Cao, Geng Wu, Xinyi Liu, Yingyi Chen, Qi Wang, Ting Shi, Yaxue Zhao, Yuefei Wang, Weihua Li, Yixue Li, Haifeng Chen, Guoqiang Chen, Jian Zhang
2011	J	`jnl`	Classification of Cytochrome P450 Inhibitors and Noninhibitors Using Combined Classifiers. J. Chem. Inf. Model. Feixiong Cheng, Yue Yu, Jie Shen, Lei Yang, Weihua Li, Guixia Liu, Philip W. Lee, Yun Tang
2011	J	`jnl`	Insights into Molecular Basis of Cytochrome P450 Inhibitory Promiscuity of Compounds. J. Chem. Inf. Model. Feixiong Cheng, Yue Yu, Yadi Zhou, Zhonghua Shen, Wen Xiao, Guixia Liu, Weihua Li, Philip W. Lee, Yun Tang
2010	J	`jnl`	Accuracy Assessment of Protein-Based Docking Programs against RNA Targets. J. Chem. Inf. Model. Yaozong Li, Jie Shen, Xianqiang Sun, Weihua Li, Guixia Liu, Yun Tang
2010	J	`jnl`	Estimation of ADME Properties with Substructure Pattern Recognition. J. Chem. Inf. Model. Jie Shen, Feixiong Cheng, You Xu, Weihua Li, Yun Tang