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#1 2023 11

EDC-Predictor: A Novel Strategy for Prediction of Endocrine-Disrupting Chemicals by Integrating Pharmacological and Toxicological Profiles

作者: Zhuohang Yu, Zengrui Wu, Moran Zhou, Kangjia Cao, Weihua Li, Guixia Liu, Yun Tang

期刊: Environmental science & technology

信息: 2023 | 57(46) | 18013-18025

#2 2023 10

In silico prediction of hERG blockers using machine learning and deep learning approaches

作者: Yuanting Chen, Xinxin Yu, Weihua Li, Yun Tang, Guixia Liu

期刊: Journal of applied toxicology : JAT

信息: 2023 | 43(10) | 1462-1475

#3 2023 09

Prediction of IDO1 Inhibitors by a Fingerprint-Based Stacking Ensemble Model Named IDO1Stack

作者: Huimin Sun, Qing Yang, Xinxin Yu, Mengting Huang, Meng Ding, Weihua Li, Yun Tang, Guixia Liu

期刊: ChemMedChem

信息: 2023 | 18(17) | e202300151

#4 2023 09

Machine learning methods for predicting the key metabolic parameters of Halomonas elongata DSM 2581 T

作者: Guanxue Lai, Junxiong Yu, Jing Wang, Weihua Li, Guixia Liu, Zejian Wang, Meijin Guo, Yun Tang

期刊: Applied microbiology and biotechnology

信息: 2023 | 107(17) | 5351-5365

#5 2023 08

Machine Learning Models to Predict Cytochrome P450 2B6 Inhibitors and Substrates

作者: Longqiang Li, Zhou Lu, Guixia Liu, Yun Tang, Weihua Li

期刊: Chemical research in toxicology

信息: 2023 | 36(8) | 1332-1344

#6 2023 07

In silico prediction of drug-induced liver injury with a complementary integration strategy based on hybrid representation

作者: Yaxin Gu, Yimeng Wang, Zengrui Wu, Weihua Li, Guixia Liu, Yun Tang

期刊: Molecular informatics

信息: 2023 | 42(7) | e2200284

#7 2023 07

Prediction of Sites of Metabolism of CYP3A4 Substrates Utilizing Docking-Derived Geometric Features

作者: Yanjun Feng, Changda Gong, Jieyu Zhu, Guixia Liu, Yun Tang, Weihua Li

期刊: Journal of chemical information and modeling

信息: 2023 | 63(13) | 4158-4169

#8 2023 07

Pharmaceutical Cocrystal Discovery via 3D-SMINBR: A New Network Recommendation Tool Augmented by 3D Molecular Conformations

作者: Lulu Zheng, Bin Zhu, Zengrui Wu, Mei Guo, Jinyao Chen, Minghuang Hong, Guixia Liu, Weihua Li, Guobin Ren, Yun Tang

期刊: Journal of chemical information and modeling

信息: 2023 | 63(14) | 4301-4311

#9 2023 05

ACP-MLC: A two-level prediction engine for identification of anticancer peptides and multi-label classification of their functional types

作者: Hua Deng, Meng Ding, Yimeng Wang, Weihua Li, Guixia Liu, Yun Tang

期刊: Computers in biology and medicine

信息: 2023 | Vol.158 | 106844

#10 2023 05

Investigation of Anti-Alzheimer's Mechanisms of Sarsasapogenin Derivatives by Network-Based Combining Structure-Based Methods

作者: Moran Zhou, Jiamin Sun, Zhuohang Yu, Zengrui Wu, Weihua Li, Guixia Liu, Lei Ma, Rui Wang, Yun Tang

期刊: Journal of chemical information and modeling

信息: 2023 | 63(9) | 2881-2894

#11 2023 03

In Silico Prediction of Metabolic Reaction Catalyzed by Human Aldehyde Oxidase

作者: Mengting Huang, Keyun Zhu, Yimeng Wang, Chaofeng Lou, Huimin Sun, Weihua Li, Yun Tang, Guixia Liu

期刊: Metabolites

信息: 2023 | 13(3) | 449

#12 2023 03

Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods

作者: Chaofeng Lou, Hongbin Yang, Hua Deng, Mengting Huang, Weihua Li, Guixia Liu, Philip W Lee, Yun Tang

期刊: Journal of cheminformatics

信息: 2023 | 15(1) | 35

#13 2023 01

In Silico discovery of aptamers with an enhanced library design strategy

作者: Long Chen, Bibi Zhang, Zengrui Wu, Guixia Liu, Weihua Li, Yun Tang

期刊: Computational and structural biotechnology journal

信息: 2023 | Vol.21 | 1005-1013

#14 2023 01

Identification of vital chemical information via visualization of graph neural networks

作者: Yimeng Wang, Mengting Huang, Hua Deng, Weihua Li, Zengrui Wu, Yun Tang, Guixia Liu

期刊: Briefings in bioinformatics

信息: 2023 | 24(1) | bbac577

发表论文

2023

EDC-Predictor: A Novel Strategy for Prediction of Endocrine-Disrupting Chemicals by Integrating Pharmacological and Toxicological Profiles

In silico prediction of hERG blockers using machine learning and deep learning approaches

Prediction of IDO1 Inhibitors by a Fingerprint-Based Stacking Ensemble Model Named IDO1Stack

Machine learning methods for predicting the key metabolic parameters of Halomonas elongata DSM 2581 T

Machine Learning Models to Predict Cytochrome P450 2B6 Inhibitors and Substrates

In silico prediction of drug-induced liver injury with a complementary integration strategy based on hybrid representation

Prediction of Sites of Metabolism of CYP3A4 Substrates Utilizing Docking-Derived Geometric Features

Pharmaceutical Cocrystal Discovery via 3D-SMINBR: A New Network Recommendation Tool Augmented by 3D Molecular Conformations

ACP-MLC: A two-level prediction engine for identification of anticancer peptides and multi-label classification of their functional types

Investigation of Anti-Alzheimer's Mechanisms of Sarsasapogenin Derivatives by Network-Based Combining Structure-Based Methods

In Silico Prediction of Metabolic Reaction Catalyzed by Human Aldehyde Oxidase

Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods

In Silico discovery of aptamers with an enhanced library design strategy

Identification of vital chemical information via visualization of graph neural networks

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