ADMETlab 2.0

[1] ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Guoli Xiong, Zhenxing Wu, Jiacai Yi, Li Fu, Zhijiang Yang, Changyu Hsieh, Mingzhu Yin, Xiangxiang Zeng, Chengkun Wu, Xiang Chen, Tingjun Hou*, Dongsheng Cao* Nucleic Acids Res, 2021, 49, W5-W14.

[2] ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database Jie Dong, Ningning Wang, Zhijiang Yao, Lin Zhang, Yan Cheng, Defang Ouyang, Aiping Lu, Dongsheng Cao* Journal of cheminformatics, 2018, 10, 29.

[3] ADMET Evaluation in Drug Discovery. 20. Prediction of Breast Cancer Resistance Protein Inhibition through Machine Learning Dejun Jiang, Tailong Lei, Zhe Wang, Chao Shen, Dongsheng Cao*, Tingjun Hou* Journal of Cheminformatics, 2020, 12, 1-26.

[4] Scopy: an integrated negative design python library for desirable HTS/VS database design Ziyi Yang, Zhijiang Yang, Aiping Lu, Tingjun Hou*, Dongsheng Cao* Briefings in Bioinformatics, 2020, in press.

[5] Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis Li Fu, Lu Liu, Zhijiang Yang, Pan Li, Junjie Ding, Yonghuan Yun, Aiping Lu, Tingjun Hou*, Dongsheng Cao* Journal of Chemical Information and Modeling 2020, 60, 63-76.

[6] ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches Zhenxing Wu, Tailong Lei, Chao Shen, Zhe Wang, Dongsheng Cao, Tingjun Hou* Journal of Chemical Information and Modeling 2019;59:4587-4601.

[7] Three-Level Hepatotoxicity Prediction System Based on Adverse Hepatic Effects Lu Liu, Li Fu, Jinwei Zhang, Hui Wei, Wenling Ye, Zhenke Deng, Lin Zhang, Yan Cheng, Defang Ouyang, Qian Cao, Dongsheng Cao* Molecular pharmaceutics, 2018, 16, 393-408.

[8] ADMET evaluation in drug discovery. 18. Reliable prediction of chemical-induced urinary tract toxicity by boosting machine learning approaches Tailong Lei, Huiyong Sun, Yu Kang, Feng Zhu. Hui Liu, Wenfang Zhou, Zhe Wang, Dan Li, Youyong Li, Tingjun Hou* Molecular Pharmaceutics, 2017, 14, 3935-3953.

[9] ADME properties evaluation in drug discovery: Prediction of plasma protein binding using NSGA-II combining PLS and consensus modeling Ningning Wang, Zhenke Deng, Chen Huang, Jie Dong, Minfeng Zhu, Zhijiang Yao, Alex F Chen, Aiping Lu, Qi Mi, Dongsheng Cao* Chemometrics and Intelligent Laboratory Systems, 2017, 170, 84-95.

[10] Predicting human intestinal absorption with modified random forest approach: a comprehensive evaluation of molecular representation, unbalanced data, and applicability domain issues Ningning Wang, Chen huang, Jie Dong, Zhijiang Yao, Minfeng Zhu, Zhenke Deng, Ben Lv, Aiping Lu, Alex F Chen, Dongsheng Cao* RSC advances, 2017, 7, 19007-19018.

[11] ADMET evaluation in drug discovery. Part 17: development of quantitative and qualitative prediction models for chemical-induced respiratory toxicity Tailong Lei, Fu Chen, Hui Liu, Huiyong Sun, Yu Kang, Dan Li, Youyong Li, Tingjun Hou* Molecular Pharmaceutics, 2017, 14, 2407-2421.

[12] ADMET evaluation in drug discovery. 16. Predicting hERG blockers by combining multiple pharmacophores and machine learning approaches Shuangquan Wang, Huiyong Sun, Hui Liu, Dan Li, Youyong Li, Tingjun Hou* Molecular Pharmaceutics, 2016, 13, 2855-2866.

[13] ADME properties evaluation in drug discovery: prediction of Caco-2 cell permeability using a combination of NSGA-II and boosting Ningning Wang, Jie Dong, Yinhua Deng, Minfeng Zhu, Ming Wen, Zhijiang Yao, Aiping Lu, Jianbing Wang, Dongsheng Cao* Journal of Chemical Information and Modeling, 2016, 56, 763-773.

[14] ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling Tailong Lei, Youyong Li, Yunlong Song, Dan Li, Huiyong Sun, Tingjun Hou* Journal of cheminformatics, 2016, 8, 6.