1. Guoli Xiong, Zhengxing Wu, Jiacai Yi, Li Fu, Zhijiang Yang, Changyu Hsieh, Mingzhu Yin, Xiangxiang Zeng, Chengkun Wu, Aiping Lu, Xiang Chen, TingjunHou*, Dongsheng Cao*, ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic Acids Research, 2021, gkab255. (IF = 16.971)
2. Guoli Xiong, Chao Shen, Ziyi Yang, Dejun Jiang, Shao Liu, Aiping Lu, Xiang Chen*, Tingjun Hou*, Dongsheng Cao*, Featurization strategies for protein–ligand interactions and their applications in scoring function development. Wiley Interdisciplinary Reviews: Computational Molecular Science, 2021, Accepted. (IF = 25.113)
3. Chengkun Wu, Xiaocheng Zhang, Zhijiang Yang, Canqun Yang, Aiping Lu, Tingjun Hou*, Dongsheng Cao*, Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules. Briefings in Bioinformatics, 2021, Accepted. (IF = 11.622)
4. Suqing Yang, Qing Ye, Junjie Ding, Aiping Lu, Xiang Chen*, Tingjun Hou*, Dongsheng Cao*, Current advances in ligand‐based target prediction, Wiley Interdisciplinary Reviews: Computational Molecular Science, 2020, e1504. (IF = 25.113)
5. Hongyan Du, Junbo Gao, Gaoqi Weng, Junjie Ding, Xin Chai, Jinping Pang, Yu Kang, Dan Li, Dongsheng Cao*, Tingjun Hou*, CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors, Nucleic Acids Research, 2020, gkaa876. (IF = 16.971)
6. Guoli Xiong, Yue Zhao, Lu Liu, Zhongye Ma, Aiping Lu, Yan Cheng, Tingjun Hou*, Dongsheng Cao*, Computational Bioactivity Fingerprint Similarities to Navigate the Discovery of Novel Scaffolds. Journal of Medicinal Chemistry, 2021, 64 (11),7544-7554. (IF = 7.446)
7. Zhengxin Wu, Dejun Jiang, Jike Wang, Changyu Hsieh*, Dongsheng Cao*, Tingjun Hou*, Mining Toxicity Information from Large Amounts of Toxicity Data. Journal of Medicinal Chemistry, 2021, 64 (10), 6924-6936. (IF =7.446)
8. Ziyi Yang, Junhong He, Aiping Lu, Tingjun Hou*, Dongsheng Cao*, Application of Negative Design To Design a More Desirable Virtual Screening Library, Journal of Medicinal Chemistry, 2020, 63 (9), 4411-4429 (IF = 7.446)
9. Ziyi Yang, Zhijiang Yang, Junhong He, Aiping Lu, Shao Liu, Tingjun Hou*, Dongsheng Cao*, Benchmarking the mechanisms of frequent hitters: limitation of PAINS alerts, Drug Discovery Today, 2021, 26 (6), 1353-1358. (IF = 7.867)
10. Ziyi Yang, Junhong He, Aiping Lu, Tingjun Hou*, Dongsheng Cao*, Frequent hitters: nuisance artifacts in high-throughput screening, Drug Discovery Today, 2020, 25 (4), 657-667. (IF = 7.867)
11. Guoli Xiong, Wenling Ye, Chao Shen, Aiping Lu, Tingjun Hou*, Dongsheng Cao*, Improving structure-based virtual screening performance via learning from scoring function components, Briefings in Bioinformatics, 2020, bbaa094. (IF = 11.622)
12. Jie Dong, Mingfeng Zhu, Yonghuan Yun, Aiping Lu, Tingjun Hou*, Dongsheng Cao*, BioMedR: an R/CRAN package for integrated data analysis pipeline in biomedical study, Briefings in Bioinformatics, 2020, bbz150. (IF = 11.622)
13. Dong-Sheng Cao*, Shi-Long Jiang, Yi-Di Guan, Xi-Sha Chen, Liu-Xia Zhang, Yi Zhang, Alex F Chen, Jin-Ming Yang, Yan Cheng*, A multi-scale systems pharmacology approach uncovers the anti-cancer molecular mechanism of Ixabepilone, European Journal of Medicinal Chemistry, 2020, 112421. (IF = 6.514)
14. Yue Zhao, Liuxia Zhang, Ting Jiang, Jing Long, Zhongye Ma, Aiping Lu, Yan Cheng*, Dognsheng Cao*, The ups and downs of Poly (ADP-ribose) Polymerase-1 inhibitors in cancer therapy–Current progress and future direction, European Journal of Medicinal Chemistry, 2020,112570. (IF = 6.514)
15. Hui Wei, Yidi Guan, Liuxia Zhang, Shao Liu, Aiping Lu, Yan Cheng*, Dongsheng Cao*, A combinatorial target screening strategy for deorphaning macromolecular targets of natural product, European Journal of Medicinal Chemistry, 2020, 204, 112644. (IF = 6.514)
16. Yidi Guan, Shilong Jiang, Wenling Ye, Xingcong Ren, Xinluan Wang, Yi Zhang, Mingzhu Yin, Kuansong Wang, Yongguang Tao, JinMing Yang, Dongsheng Cao*, Yan Cheng*, Combined treatment of mitoxantrone sensitizes breast cancer cells to rapalogs through blocking eEF-2K-mediated activation of Akt and autophagy, Cell death & disease, 2020, 11 (11), 1-15. (IF = 8.469)
17. Yonghuan Yun*, Hongdong Li, Baichuan Deng, Dongsheng Cao*, An overview of variable selection methods in multivariate analysis of near infrared spectra, TrAC Trends in Analytical Chemistry, 2019, 113, 102-115. (IF =12.296)
18. Xiaochen Zhang, Chengkun Wu, Zhijiang Yang, Zhengxin Wu, Jiacai Yi, Chengyu Hsieh, Tongjun Hou*, Dongsheng Cao*, MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction. Briefings in Bioinformatics, 2021, bbab152. (IF =11.622)
19. Ziyi Yang, Zhijiang Yang, Yue Zhao, Mingzhu Yin, Aiping Lu, Xiang Chen, Shao Liu*, Tingjun Hou*, Dongsheng Cao*, PySmash: Python package and individual executable program for representative substructure generation and application. Briefings in Bioinformatics, 2021, bbab017. (IF = 11.622)
20. Qing Ye, Xin Chai, Dejun Jiang, Liu Yang, Chao Shen, Xujun Zhang, Dan Li, Dongsheng Cao*, Tingjun Hou*, Identification of active molecules against Mycobacterium tuberculosis through machine learning. Briefings in Bioinformatics, 2021, bbab068. (IF = 11.622)
21. Chao Shen, Ye Hu, Zhe Wang, Xujun Zhang, Haiyang Zhong, Gaoang Wang, Xiaojun Yao, Lei Xu, Dongsheng Cao*, Tingjun Hou*, Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions, Briefings in Bioinformatics, 2020. (IF = 11.622)
22. Zhenxing Wu, Dejun Jiang, Changyu Hsieh, Guangyong Chen, Ben Liao, Dongsheng Cao*, Tungjun Hou*, Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method. Briefings in Bioinformatics, 2021, bbab112. (IF = 11.622)
23. Yue Zhao, Xianggui Wang, Zhongye Ma, Guoli Xiong, Zhijiang Yang, Yan Cheng, Aiping Lu, Zhijun Huang*, Dongsheng Cao*, Systematic comparison of ligand-based and structure-based virtual screening methods on poly (ADP-ribose) polymerase-1 inhibitors. Briefings in Bioinformatics, 2021, bbab135. (IF = 11.622)
24. Zhenxing Wu, Minfeng Zhu, Tailong Lei, Chao Shen, Dejun Jiang, Zhe Wang, Dongsheng Cao*, Tingjun Hou*, Do we need different machine learning algorithms for QSAR modeling? A comprehensive assessment of 16 machine learning algorithms on 14 QSAR data sets, Briefings in Bioinformatics, 2020, bbaa321. (IF = 11.622)
25. Chao Shen, Gaoqi Weng, Xujun Zhang, Xiaojun Yao, Jinping Pang, Xin Chai, Dan Li, Ercheng Wang*, Dongsheng Cao*, Tingjun Hou*, Accuracy or novelty: what can we gain from target-specific machine learning-based scoring functions in virtual screening. Briefings in Bioinformatics, 2020, bbaa410. (IF = 11.622)
26. Li Fu, Ziyi Yang, Zhijiang Yang, Mingzhu Yin, Aiping Lu, Xiang Chen, Shao Liu, Tingjun Hou*, Dongsheng Cao*, QSAR-assisted-MMPA to expand chemical transformation space for lead optimization. Briefings in Bioinformatics, 2020, bbaa374. (IF = 11.622)
27. Ziyi Yang, Jie Dong, Zhijiang Yang, Mingzhu Yin, Hongli Jiang, Aiping Lu, Xiang Chen, Tingjun Hou*, Dongsheng Cao*, ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds, Briefings in Bioinformatics, 2020, bbaa282. (IF = 11.622)
28. Ziyi Yang, Zhijiang Yang, Aiping Lu, Tingjun Hou*, Dongsheng Cao*, Scopy: an integrated negative design python library for desirable HTS/VS database design, Briefings in Bioinformatics, 2020, bbaa194. (IF = 11.622)
29. Chao Shen, Ye Hu, Zhe Wang, Xujun Zhang, Jinping Pang, Gaoang Wang, Haiyang Zhong, Lei Xu, Dongsheng Cao*, Tingjun Hou*, Beware of the generic machine learning-based scoring functions in structure-based virtual screening, Briefings in Bioinformatics, 2020, bbaa070. (IF = 11.622)
30. Liangliang Wang, Junjie Ding, Li Pan, Li Fu, Jiahao Tian, Dongsheng Cao*, Hui Jiang*, Xiaoqin Ding*, Quantitative structure-toxicity relationship model for acute toxicity of organophosphates via multiple administration routes in rats and mice, Journal of Hazardous Materials, 2020, 401, 123724. (IF = 10.588)
31. Jike Wang, Huiyong Sun, Dejun Jiang, Zhe Wang, Zhenxing Wu, Xi Chen*, Dongsheng Cao*, Tingjun Hou*, DeepChargePredictor: A web server for predicting QM-based atomic charges via state-of-the-art machine-learning algorithms. Bioinformatics, 2021, btab389. (IF= 6.937)
32. Jie Dong, Ningning Wang, Zhijiang Yao, Lin Zhang, Yan Cheng, Defang Ouyang, Aiping Lu, Dongsheng Cao*, ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database, Journal of Cheminformatics, 2018, 10, 29. (IF = 5.491)
33. Dejun Jiang, Zhenxing Wu, Changyu Hsieh, Guangyong Chen, Ben Liao, Zhe Wang, Shao Shen, Dongsheng Cao*, Jian Wu*, Tingjun Hou*, Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models. Journal of Cheminformatics, 2021, 13(1), 1-23. (IF = 5.491)
34. Xujun Zhang, Chao Shen, Xueying Guo, Zhe Wang, Gaoqi Weng, Gaoang Wang, Qiaojun He, Bo Yang*, Dongsheng Cao*, Tingjun Hou*, ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functions. Journal of Cheminformatics, 2021, 13(1), 1-9. (IF = 5.491)
35. Dejun Jiang, Tailong Lei, Zhe Wang, Chao Shen, Dongsheng Cao*, Tingjun Hou*, ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning, Journal of Cheminformatics, 2020, 12 (1), 1-26. (IF = 5.491)
36. Jie Dong, Zhijiang Yao, Ming Wen, Minfeng Zhu, Ningning Wang, Hongyu Miao, Aiping Lu, Wenbin Zeng, Dongsheng Cao*, BioTriangle: a web accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions, Journal of Cheminformatics, 2016, 8, 34. (IF = 5.491)
37. Jie Dong, Zhijiang Yao, Minfeng Zhu, Ningning Wang, Ben Lu, Alex F Chen, Aiping Lu, Hongyu Miao, Wenbin Zeng, Dongsheng Cao*, ChemSAR: an online pipelining platform for molecular SAR modeling, Journal of Cheminformatics, 2017, 9, 27. (IF = 5.491)
38. Jie Dong, Zhijiang Yao, Lin Zhang, Feijun Luo, Qinlu Lin, Aiping Lu, Alex F Chen, Dongsheng Cao*, PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions, Journal of Cheminformatics, 2018, 10, 16. (IF = 5.491)
39. Ningning Wang, Jie Dong, Lin Zhang, Defang Ouyang, Yan Cheng, Alex F Chen, Ai Ping Lu, Dongsheng Cao*, HAMdb: a database of human autophagy modulators with specific pathway and disease information, Journal of Cheminformatics, 2018, 10, 34. (IF = 5.491)
40. Gaoqi Weng, Junbo Gao, Zhe Wang, Ercheng Wang, Xueping Hu, Xiaojun Yao, Dongsheng Cao*, Tingjun Hou*, Comprehensive Evaluation of Fourteen Docking Programs on Protein–Peptide Complexes, Journal of Chemical Theory and Computation, 2020, 16 (6), 3959-3969. (IF = 6.038)
41. Wenling Ye, Chao Shen, Guoli Xiong, Juejie Ding, Aiping Lu, Tingjun Hou*, Dongsheng Cao*, Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring, Journal of Chemical Information and Modeling, 2020, 60, 9, 4216–4230. (IF = 4.956)
42. Ziyi Yang, Jie Dong, Zhijiang Yang, Aiping Lu, Tingjun Hou*, Dongsheng Cao*, Structural Analysis and Identification of False Positive Hits in Luciferase-Based Assays, Journal of Chemical Information and Modeling, 2020, 60 (4), 2031-2043. (IF = 4.956)
43. Li Fu, Lu Liu, Zhijiang Yang, Li Pan, Junjie Ding, Yonghuan Yun, Aiping Lu, Tingjun Hou*, Dongsheng Cao*, Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis, Journal of Chemical Information and Modeling, 2020, 60 (1), 63-76. (IF = 4.956)
44. Ziyi Yang, Zhijiang Yang, Jie Dong, Liangliang Wang, Liuxia Zhang, Junjie Ding, Xiaoqin Ding, Aiping Lu, Tingjun Hou, Dongsheng Cao*, Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery, Journal of Chemical Information and Modeling, 2019, 59, 3714-3726. (IF = 4.956)
45. Ningning Wang, Jie Dong, Yinhua Deng, Minfeng Zhu, Ming Wen, Zhijiang Yao, Aiping Lu, Jianbing Wang, Dongsheng Cao*, ADME properties evaluation in drug discovery: prediction of Caco 2 cell permeability using a combination of NSGA II and boosting, Journal of Chemical Information and Modeling, 2016, 56, 763-773. (IF = 4.956)
46. Lu Liu, Li Fu, Jinwei Zhang, Hui Wei, Wenling Ye, Zhenke Deng, Lin Zhang, Yan Cheng, Defang Ouyang, Qian Cao*, Dongsheng Cao*, Three Level Hepatotoxicity Prediction System Based on Adverse Hepatic Effects, Molecular Pharmaceutics, 2018, 16, 393-408. (IF = 4.939)
47. Zhe Wang, Xuwen Wang, Yu Kang, Haiyang Zhong, Chao Shen, Xiaojun Yao, Dongsheng Cao*, Tingjun Hou*, Binding affinity and dissociation pathway predictions for a series of USP7 inhibitors with pyrimidinone scaffold by multiple computational methods, Physical Chemistry Chemical Physics, 2020, 22 (10), 5487-5499. (IF = 3.676)
48. Zhe Wang, Huiyong Sun, Chao Shen, Xueping Hu, Junbo Gao, Dan Li, Dongsheng Cao*, Tingjun Hou*, Combined strategies in structure-based virtual screening, Physical Chemistry Chemical Physics, 2020, 22 (6), 3149-3159. (IF = 3.676)
49. Shilong Jiang, Xisha Chen, Peng Ge, Xinluan Wang, Yuanzhi Lao, Songshu Xiao, Yi Zhang, Jinming Yang, Xiaojun Xu, Yan Cheng*, Dongsheng Cao*, Tubeimoside 1, a triterpenoid saponin, induces cytoprotective autophagy in human breast cancer cells in vitro via Akt mediated pathway, Acta Pharmacological Sinica, 2018, 40, 1. (IF = 6.15)
50. Haiyan Wang, Xisha Chen, Yuanzhi Lao, Songshu Xiao, Yi Zhang, Jinming Yang, Xiaojun Xu, Dongsheng Cao*, Yan Cheng*. Identification of HMGCR as the anti-cancer target of Physapubenolide against melanoma cells by in silico target prediction, Acta Pharmacological Sinica, 2021, Accepted. (IF = 6.15)
51. Zhijiang Yao, Jie Dong, Yujing Che, Minfeng Zhu, Ming Wen, Ningning Wang, Shan Wang, Aiping Lu, Dongsheng Cao*, TargetNet: a web service for predicting potential drug–target interaction profiling via multi target SAR models, Journal of Computer Aided Molecular Design, 2016, 30, 413-424. (IF = 3.686)
52. Liangliang Wang, Juejie Ding, Li Pan, Dongsheng Cao*, Hui Jiang*, Xiaoqin Ding*, Quantum chemical descriptors in quantitative structure–activity relationship models and their applications. Chemometrics and Intelligent Laboratory Systems, 2021, 217 (15), 104384. (IF = 3.491)
53. Dongsheng Cao*, Nan Xiao, Yuanjian Li, Wenbin Zeng, Yizeng Liang, Aiping Lu, Qingsng Xu, Alxe F Chen, Integrating multiple evidence sources to predict adverse drug reactions based on a systems pharmacology model. CPT: pharmacometrics & systems pharmacology, 2015, 4 (9), 498-506. (IF = 4.054)
54. Baichuan Deng, Yonghuan Yun, Dongsheng Cao*, Yulong Yin, Weiting Wang, Hongmei Lu, Qianyi Luo, Yizeng Liang*, A bootstrapping soft shrinkage approach for variable selection in chemical modeling, Analytica Chimica Acta, 2016, 908, 63-74. (IF = 6.558)
55. Ming Wen, Baichuan Deng, Dongsheng Cao*, Yonghuan Yun, Ruihan Yang, Hongmei Lu*, Yizeng Liang, The model adaptive space shrinkage (MASS) approach: a new method for simultaneous variable selection and outlier detection based on model population analysis, Analyst, 2016, 141, 5586-5597. (IF = 4.616)
56. Liangliang Wang, Junjie Ding, Peichang Shi, Li Fu, Li Pan, Jianhao Tian, Dongsheng Cao*, Hui Jiang*, Xiaoqin Ding*, Ensemble machine learning to evaluate the in vivo acute oral toxicity and in vitro human acetylcholinesterase inhibitory activity of organophosphates. Archives of Toxicology, 2021, 1-15. (IF = 5.153)
57. Mei Wen, Zhengke Deng, Shilong Jiang, Yidi Guan, Haizhou Wu, Yi Zhang, Jinming Yang, Dongsheng Cao*, Yan Cheng*. Identification of a Novel Bcl-2 Inhibitor by Ligand-based screening and investigation of its anti-cancer effect on human breast cancer cells. Frontier in Pharmacology, 2019, 10, 391. (IF = 5.81)
58. Yinhua Deng, Ningning Wang, Zhenxing Zou, Lin Zhang, Kangping Xu, Alex F Chen, Dongsheng Cao*, Guishan Tan*, Multi target screening and experimental validation of natural products from selaginella plants against Alzheimer's disease, Frontier in Pharmacology, 2017, 8, 539. (IF = 5.81)
59. Wenling Ye, LX Zhang, Yidi Guan, Weiwei Xue, Alex F Chen, Qian Cao, Yan Cheng*, Dongsheng Cao*, Virtual screening and experimental validation of eEF2K inhibitors by combining homology modeling, QSAR and molecular docking from FDA approved drugs, New Journal of Chemistry, 2019, 43(48), 19097-19106. (IF = 3.591)
60. Youzhou Tang, Weiru Zhang, Minfeng Zhu, Li Zheng, Lingli Xie, Zhijiang Yao, Hao Zhang*, Dongsheng Cao*, Ben Lu*, Lupus nephritis pathology prediction with clinical indices, Scientific Report, 2018, 8, 10231. (IF = 4.379)
61. Zhizhong Liu, Jiawei Huang, Yong Wang*, Dongsheng Cao*, ECOEFFS: A software using evolutionary computation for feature selection in drug discovery, IEEE Access, 2018, 6, 20950 -20963. (IF = 3.367)
62. Ningning Wang, Chen Huang, Jie Dong, Zhijiang Yao, Minfeng Zhu, Zhenfe Deng, Ben Lu, Aiping Lu, Alex F Chen, Dongsheng Cao*, Predicting human intestinal absorption with modified random forest approach: a comprehensive evaluation of molecular representation, unbalanced data, and applicability domain issues, RSC Advances, 2017, 7, 19007-19018. (IF = 3.361)
63. Ningning Wang, Zhenke Deng, Chen Huang, Jie Dong, Minfeng Zhu, Zhijiang Yao, Alex F Chen, Aiping Lu, Qi Mi, Dongsheng Cao*, ADME properties evaluation in drug discovery: prediction of plasma protein binding using NSGA II combining PLS and consensus modeling, Chemometrics and Intelligent Laboratory Systems, 2017, 170, 84-95. (IF = 3.491)
64. Jie Dong, Ningning Wang, Keyi Liu, Minfeng Zhu, Yonghuan Yun, Wenbin Zeng, Alex F. Chen, Dongsheng Cao*, ChemBCPP: A freely available web server for calculating commonly used physicochemical properties, Chemometrics and Intelligent Laboratory Systems, 2017, 171, 65-73. (IF = 3.491)
65. Wenling Ye, Suqing Yang, Liuxia Zhang, Zhenke Deng, Wenqun Li, Jinwei Zhang, Lin Zhang, Yonghuan Yun, Alex F Chen, Dongsheng Cao*, Multistep virtual screening for rapid identification of G Protein Coupled Receptors Kinase 2 inhibitors for heart failure treatment, Chemometrics and Intelligent Laboratory Systems, 2019, 185, 32-40. (IF = 3.491)
66. Liang Shen, Dongsheng Cao (co-author), Qingsong Xu*, Xin Huang, Nan Xiao, Yizeng Liang, A novel local manifold ranking based K NN for modeling the regression between bioactivity and molecular descriptors, Chemometrics and Intelligent Laboratory Systems, 2016, 151, 71-77. (IF = 3.491)
67. Dongsheng Cao*, Zhenke Deng, Minfeng Zhu, Zhijiang Yao, Jie Dong, Ruigang Zhao*, Ensemble partial least squares regression for descriptor selection, outlier detection, applicability domain assessment, and ensemble modeling in QSAR/QSPR modeling, Journal of Chemometrics, 2017, 31, e2922. (IF = 2.467)
68. Zizheng Zou, Xiyuan Hu, Tiao Luo, Zhengnan Ming, Xiaodan Chen, Li Xia, Wensong Luo, Jijia Li, Na Xu, Ling Chen, Dongsheng Cao, Min Wen, Fanrong Kong, Kunjian Peng, Yuanzhu Xie, Xuan Li, Dayou Ma, Chuanyu Yang, Ceshi Chen, Wenjun Yi, Ousheng Liu, Suyou Liu*, Junli Luo*, Zhiyong Luo*, Naturally-occurring spinosyn A and its derivatives function as argininosuccinate synthase activator and tumor inhibitor. Nature Communications, 2021, 12. (IF = 14.919)
69. Gaoqi Weng, Chao Shen, Dongsheng Cao, J Gao, X Dong, Q He, B Yang, D Li, J Wu, T Hou*, PROTAC-DB: an online database of PROTACs, Nucleic Acids Research, 2020, gkaa807. (IF = 16.971)
70. Lanya Li, Xisha Chen, Kuansong Wang, Yidi Guan, Xingcong Ren, Dongsheng Cao, Xinyuan Sun, Aoxue Li, Yongguang Tao, Yi Zhang, Mingzhu Yin, Xinluan Wang, Minghua Wu, Jinming Yang, Yan Cheng*, RSK2 protects human breast cancer cells under endoplasmic reticulum stress through activating AMPKα2-mediated autophagy, Oncogene, 2020, 39 (43), 6704-6718. (IF = 9.867)
71. Jike Wang, Dognsheng Cao, Cunchen Tang, Lei Xu, Qun He, Bo Yang, Xiaomiao Chen, Huiyong Sun, Tingjun Hou*, DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges, Briefings in Bioinformatics, 2020, bbaa183. (IF = 11.622)
72. Jike Wang, Dongsheng Cao, Cunchen Tang, Xiaomiao Chen, Huiyong Sun*, Tingjun Hou*, Fast and Accurate Prediction of Partial Charges Using Atom-Path-Descriptor-based Machine Learning, Bioinformatics, 2020, 36(18), 4721-4728. (IF = 6.937)
73. Sheng Yang, Jiaxing Jiang, Anxin Zhou, Yibo Zhou, Wenling Ye, Dongsheng Cao, Ronghua Yang*, Substrate-Photocaged Enzymatic Fluorogenic Probe Enabling Sequential Activation for Light-Controllable Monitoring of Intracellular Tyrosinase Activity, Analytical Chemistry, 2020, 92 (10), 7194-7199. (IF = 6.986)
74. Liangliang Wang, Junjie Ding, Li Pan, Dongsheng Cao, Hui Jiang*, Xiaoqin Ding*, Artificial intelligence facilitates drug design in the big data era, Chemometrics and Intelligent Laboratory Systems, 2019, 194, 103850. (IF = 3.491)
75. Yonghuan Yun*, Jun Bin, Dong Li Liu, Lin Xu, Ting Liang Yan, Dongsheng Cao, Qing Song Xu, A hybrid variable selection strategy based on continuous shrinkage of variable space in multivariate calibration, Analytica Chimica Acta, 2019, 1058, 58-69. (IF = 6.558)
76. Chao Shen, Junjie Ding, Zhe Wang, Dongsheng Cao, Xiaoqin Ding, Tingjun Hou*, From machine learning to deep learning: Advances in scoring functions for protein–ligand docking, Wiley Interdisciplinary Reviews: Computational Molecular Science, 2019, e1429, 1. (IF = 25.113)
77. Baichuan Deng*, Hongrong Long, Tianyue Tang, Xiaojun Ni, Jialuo Chen, Guangming Yang, Fan Zhang, Ruihua Cao, Dongsheng Cao, Maomao Zeng, Lunzhao Yi, Quantitative Structure-Activity Relationship Study of Antioxidant Tripeptides Based on Model Population Analysis, International Journal of Molecular Sciences, 2019, 20, 995. (IF = 5.923)
78. Zhuyifan Ye, Yilong Yang, Xiaoshan Li, Dongsheng Cao, Defang Ouyang, An Integrated Transfer Learning and Multitask Learning Approach for Pharmacokinetic Parameter Prediction, Molecular Pharmaceutics, 2018, 16, 533-541. (IF = 4.939)
79. Min He*, Pan Yan, Zhiyu Yang, Ying Ye, Dongsheng Cao, Liang Hong, Tiaobiao Yang, Rui Pei. Multi-analytical strategy for unassigned peaks using physical/mathematical separation, fragment rules and retention index prediction: An example of sesquiterpene metabolites characterization in Cyperus rotundus. Journal of Pharmaceutical and Biomedical Analysis, 2018, 154, 476-485. (IF = 3.935)
80. Qianqian Zhao, Nikhila Miriyala, Yan Su, Weijie Chen, Xuejiao Gao, Ling Shao, Ru Yan, Haifeng Li, Xiaojun Yao, Dongsheng Cao, Defang Ouyang*, Computer aided formulation design for a highly soluble lutein–cyclodextrin multiple component delivery system, Molecular Pharmaceutics, 2018, 15, 1664-1673. (IF = 4.939)
81. Liang Shen, Qingsong Xu*, Dongsheng Cao, Yizeng Liang, Hongshuai Dai, The hybrid of semisupervised manifold learning and spectrum kernel for classification, Journal of Chemometrics, 2018, 32, e2955. (IF = 2.467)
82. Maomao Zeng*, Junhui Wang, Mengru Zhang, Jing Chen, Zhiyong He, Fang Qin, Zhimin Xu, Dongsheng Cao, Jie Chen, Inhibitory effects of Sichuan pepper (Zanthoxylum bungeanum) and sanshoamide extract on heterocyclic amine formation in grilled ground beef patties, Food Chemistry, 2018, 239, 111-118. (IF = 7.514)
83. Zhenxing Zou, Pingsheng Xu, Guogang Zhang, Fei Cheng, Kai Chen, Jing Li, Weixing Zhu, Dongsheng Cao, Kangping Xu, Guishan Tan*, Selagintriflavonoids with BACE1 inhibitory activity from the fern Selaginella doederleinii, Phytochemistry, 2017, 134, 114-121. (IF = 4.072)
84. Zhenxing Zou, Kangping Xu, Pingsheng Xu, Xiaomin Li, Fei Cheng, Jing Li, Xia Yu, Dongsheng Cao, Dan Li, Wei Zeng, Guogang Zhang, Guishan Tan*, Seladoeflavones A–F, six novel flavonoids from Selaginella doederleinii, Fitoterapia, 2017, 116, 66-71. (IF = 2.882)
85. Dongsheng Cao*, Zhenke Deng, Minfeng Zhu, Zhijiang Yao, Jie Dong, Ruigang Zhao, Ensemble partial least squares regression for descriptor selection, outlier detection, applicability domain assessment, and ensemble modeling in QSAR/QSPR modeling, Journal of Chemometrics, 2017, 31, e2922. (IF = 2.467)
86. Yonghuan Yun, Baichuan Deng, Dongsheng Cao, Weiting Wang, Yizeng Liang*, Variable importance analysis based on rank aggregation with applications in metabolomics for biomarker discovery, Analytica Chimica Acta, 2016, 911, 27-34. (IF = 6.558)
87. Zhijiang Yao, Jie Dong, Yujing Che, Minfeng Zhu, Ming Wen, Ningning Wang, Shan Wang, Aiping Lu, Dongsheng Cao*, TargetNet: a web service for predicting potential drug–target interaction profiling via multi target SAR models, Journal of Computer Aided Molecular Design, 2016, 30, 413-424. (IF = 3.686)
88. Qingsong Xu*, Jian Xu, Dongsheng Cao, Yizeng Liang, Boosting in block variable subspaces: An approach of additive modeling for structure–activity relationship, Chemometrics and Intelligent Laboratory Systems, 2016, 152, 134-139. (IF = 3.491)
89. Ming Wen, Baichuan Deng, Dongsheng Cao*, Yonghuan Yun, Ruihan Yang, Hongmei Lu*, Yizeng Liang, The model adaptive space shrinkage (MASS) approach: a new method for simultaneous variable selection and outlier detection based on model population analysis, Analyst, 2016, 141, 5586-5597. (IF = 4.616)
90. Ningning Wang, Jie Dong, Yinhua Deng, Minfeng Zhu, Ming Wen, Zhijiang Yao, Aiping Lu, Jianbing Wang, Dongsheng Cao*, ADME properties evaluation in drug discovery: prediction of Caco 2 cell permeability using a combination of NSGA II and boosting, Journal of Chemical Information and Modeling, 2016, 56, 763-773. (IF = 4.956)
91. Liang Shen, Dongsheng Cao (co-author), Qingsong Xu, Xin Huang, Nan Xiao, Yizeng Liang*, A novel local manifold ranking based K NN for modeling the regression between bioactivity and molecular descriptors, Chemometrics and Intelligent Laboratory Systems, 2016, 151, 71-77. (IF = 3.491)
92. Jie Dong, Zhijiang Yao, Ming Wen, Minfeng Zhu, Ningning Wang, Hongyu Miao, Aiping Lu, Wenbin Zeng, Dongsheng Cao*, BioTriangle: a web accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions, Journal of Cheminformatics, 2016, 8, 34. (IF = 5.514)
93. Baichuan Deng, Yonghuan Yun, Dongsheng Cao*, Yulong Yin, Weiting Wang, Hongmei Lu, Qianyi Luo, Yizeng Liang, A bootstrapping soft shrinkage approach for variable selection in chemical modeling, Analytica Chimica Acta, 2016, 908, 63-74. (IF = 6.558)
94. Pengfei Xu, Kunzhu Huang, Dongsheng Cao, Wenbin Zeng*, A Green and Efficient One pot Synthesis of 1, 2, 3 Trisubstituted Pyrroles via Iodine catalyzed Tandem Reaction, Letters in Organic Chemistry, 2015, 12, 290-298. (IF = 0.867)
95. Nan Xiao, Dongsheng Cao*, Minfeng Zhu, Qingsong Xu*, protr/ProtrWeb: R package and web server for generating various numerical representation schemes of protein sequences, Bioinformatics, 2015, 31, 1857-1859. (IF = 6.937)
96. Yong Wang*, Jingjing Huang, Neng Zhou, Dongsheng Cao*, Jie Dong, Hanxiong Li, Incorporating PLS model information into particle swarm optimization for descriptor selection in QSAR/QSPR, Journal of Chemometrics, 2015, 29, 627-636. (IF = 2.467)
97. Kunzhu Huang, Meihui Liu, Xiaobo Wang, Dongsheng Cao, Feng Gao, Kechao Zhou, Wei Wang, Wenbin Zeng*, Cascade reaction and FRET based fluorescent probe for the colorimetric and ratiometric signaling of hydrogen sulfide, Tetrahedron Letters, 2015, 56, 3769-3773. (IF = 2.415)
98. Kunzhu Huang, Meihui Liu, Zhiguo Liu, Dongsheng Cao, Jing Hou, Wenbin Zeng*, Ratiometric and colorimetric detection of hydrogen sulfide with high selectivity and sensitivity using a novel FRET based fluorescence probe, Dyes and Pigments, 2015, 118, 88-94. (IF = 4.889)
99. Jie Dong, Dongsheng Cao*, Hongyu Miao, Shao Liu, Baichuan Deng, Yonghuan Yun, Ningning Wang, Aiping Lu, Wenbin Zeng*, Alex F Chen, ChemDes: an integrated web based platform for molecular descriptor and fingerprint computation, J Cheminformatics 2015, 7, 60. (IF = 5.514)
100. Baichuan Deng, Yonghuan Yun, Yizeng Liang, Dongsheng Cao*, Qingsong Xu, Lunzhao Yi, Xin Huang, A new strategy to prevent over fitting in partial least squares models based on model population analysis, Analytica Chimica Acta, 2015, 880, 32-41. (IF = 6.558)
101. Dongsheng Cao*, Shao Liu, Wenbin Zeng, Yizeng Liang, Sparse canonical correlation analysis applied to omics studies for integrative analysis and biomarker discovery, Journal of Chemometrics, 2015, 29, 371 -378. (IF = 2.467)
102. Dongsheng Cao*, Jie Dong, Ningning Wang, Ming Wen, Baichuan Deng, Wenbin Zeng, Qingsong Xu, Yizeng Liang, Aiping Lu, Alex F Chen, In silico toxicity prediction of chemicals from EPA toxicity database by kernel fusion based support vector machines, Chemometrics and Intelligent Laboratory Systems, 2015, 146, 494-502. (IF = 3.491)
103. Dongsheng Cao*, N Xiao, Y J Li, W B Zeng, Y Z Liang, A P Lu, Q S Xu, Af Chen, Integrating multiple evidence sources to predict adverse drug reactions based on a systems pharmacology model, CPT Pharmacometrics Syst Pharmacol, 2015, 4, 498-506. (IF = 4.054)
104. Yonghuan Yun, Weiting Wang, Minli Tan, Yizeng Liang, Hongdong Li, Dongsheng Cao, Hongmei Lu, Qingsong Xu, A strategy that iteratively retains informative variables for selecting optimal variable subset in multivariate calibration, Analytica Chimica Acta, 2014, 807, 36 -43. (IF = 6.558)
105. Yonghuan Yun, Dongsheng Cao, Minli Tan, Jun Yan, Dabing Ren, Qingsong Xu, Ling Yu, Yizeng* Liang, A simple idea on applying large regression coefficient to improve the genetic algorithm PLS for variable selection in multivariate calibration, Chemometrics and Intelligent Laboratory Systems, 2014, 130, 76-83. (IF = 3.491)
106. Nan Xiao, Qingsong Xu*, Dongsheng Cao*, Protr: Protein sequence descriptor calculation and similarity computation with R, Bioinformatics, 2014, 31, 279-281. (IF = 6.937)
107. Shaohua Shi, Yuepiao Cai, Xiaojun Cai, Xiaoyong Zheng, Dongsheng Cao, Faqing Ye, Zheng Xiang*, A network pharmacology approach to understanding the mechanisms of action of traditional medicine: Bushenhuoxue formula for treatment of chronic kidney disease, PloS one, 2014, 9, e89123. (IF = 3.24)
108. Xin Huang, Qingsong Xu, Dongsheng Cao, Yiping Luo, Yizeng Liang*, Kernel k nearest neighbor classifier based on decision tree ensemble for SAR modeling analysis, Analytical Methods, 2014, 6, 6621-6627. (IF = 2.896)
109. Dongsheng Cao*, Nan Xiao, Qingsong Xu, Alex F Chen, Rcpi: R/Bioconductor package to generate various descriptors of proteins, compounds and their interactions, Bioinformatics, 2014, 31, 279-281. (IF = 6.937)
110. Dongsheng Cao*, Shao Liu, Lan Fan, Yizeng Liang, QSAR analysis of the effects of OATP1B1 transporter by structurally diverse natural products using a particle swarm optimization combined multiple linear regression approach, Chemometrics and Intelligent Laboratory Systems, 2014, 130, 84-90. (IF = 3.491)
111. Liangxiao Zhang, Chunlan Tang, Dongsheng Cao, Yingxu Zeng, Binbin Tan, Maomao Zeng, Wei Fan, Hongbin Xiao, Yizeng Liang*, Strategies for structure elucidation of small molecules using gas chromatography mass spectrometric data, TrAC Trends in Analytical Chemistry, 2013, 47, 37-46. (IF = 12.296)
112. Yonghuan Yun, Yizeng Liang*, Guixiang Xie, Hongdong Li, Dongsheng Cao, Qingsong Xu, A perspective demonstration on the importance of variable selection in inverse calibration for complex analytical systems, Analyst, 2013, 138, 6412-6421. (IF = 4.616)
113. Yonghuan Yun, Hongdong Li, Leslie Re Wood, Wei Fan, Jiajun Wang, Dongsheng Cao, Qingsong Xu, Yizeng Liang*, An efficient method of wavelength interval selection based on random frog for multivariate spectral calibration, Spectrochim Acta A Mol Biomol Spectrosc, 2013, 111, 31-36. (IF = 4.098)
114. Xin Huang, Dongsheng Cao (co-author), Qingsong Xu, Liang Shen, Jianhua Huang, Yizeng Liang*, A novel tree kernel support vector machine classifier for modeling the relationship between bioactivity and molecular descriptors, Chemometrics and Intelligent Laboratory Systems, 2013, 120, 71 -76. (IF = 3.491)
115. Xin Huang, Dongsheng Cao, Qingsong Xu, Yizeng Liang*, A novel tree kernel partial least squares for modeling the structure–activity relationship, Journal of Chemometrics, 2013, 27, 43-49. (IF = 2.496)
116. Jianhua Huang, Hualin Xie, Jun Yan, Dongsheng Cao, Hongmei Lu, Qingsong Xu, Yizeng Liang*, Interpretation of type 2 diabetes mellitus relevant GC MS metabolomics fingerprints by using random forests, Analytical Methods, 2013, 5, 4883-4889. (IF = 2.896)
117. Jianhua Huang, Ruihua He, Lunzhao Yi, Hualin Xie, Dongsheng Cao, Yi Zeng Liang*, Exploring the relationship between 5′AMP activated protein kinase and markers related to type 2 diabetes mellitus, Talanta, 2013, 110, 1-7. (IF = 6.057)
118. Min He, Dongsheng Cao*, Yizeng Liang*, Yaping Li, Pingle Liu, Qingsong Xu, Renbin Huang, Pressor mechanism evaluation for phytochemical compounds using in silico compound–protein interaction prediction, Regulatory Toxicology and Pharmacology, 2013, 67, 115 -124. (IF = 3.271)
119. Xian Chen, Hongdong Li, Fangqiu Guo, Jun Yan, Dongsheng Cao, Yi Zeng Liang*, QSRR study on flavor compounds of diverse structures on different columns with the help of new chemometric methods, Chromatographia, 2013, 76, 241-253. (IF = 2.044)
120. Dongsheng Cao*, Guanghua Zhou, Shao Liu, Liuxia Zhang, Qingsong Xu, Min He, Yizeng Liang, Large scale prediction of human kinase–inhibitor interactions using protein sequences and molecular topological structures, Analytica Chimica Acta, 2013, 792, 10-18. (IF = 6.558)
121. Dongsheng Cao, Qingsong Xu, Yizeng Liang*, propy: a tool to generate various modes of Chou’s PseAAC, Bioinformatics, 2013, 96-962, 29. (IF = 6.937)
122. Dongsheng Cao*, Qingsong Xu, Qiannan Hu, Yizeng Liang, ChemoPy: freely available python package for computational biology and chemoinformatics, Bioinformatics, 2013, 29, 1092 -1094. (IF = 6.937)
123. Dongsheng Cao, Yizeng Liang, Jun Yan, Guishan Tan, Qingsong Xu, Shao Liu, PyDPI: freely available python package for chemoinformatics, bioinformatics, and chemogenomics studies. Journal of Chemical Information and Modeling, 2013, 53, 3086-3096. (IF = 4.956)
124. Dongsheng Cao, Yizeng Liang*, Zhe Deng, Qiannan Hu, Min He, Qingsong Xu, Guanghua Zhou, Liuxia Zhang, Zixin Deng, Shao Liu, Genome scale screening of drug target associations relevant to Ki using a chemogenomics approach, PloS one, 2013, 8, e57680. (IF = 3.24)
125. Jianchao Zhao, Kejun Zhong, Yanning Yang, Dongsheng Cao, Hongbing Lu, Jianguo Huang, Yanchun Li, Yizeng Liang*, Qualitative and Flavor Analysis of Unknown Essence by Gas Chromatography Mass Spectroscopy and Computer Aided Flavor Adjusting Software, Chromatographia, 2012, 2, 1. (IF = 2.044)
126. Wan Zhang, Liangxiao Zhang, Hongdong Li, Yizeng Liang*, Rong Hu, Nannan Liang, Wei Fan, Dongsheng Cao, Lunzhao Yi, Jidong Xia, GC–MS based serum metabolomic analysis of isoflurane induced postoperative cognitive dysfunctional rats: biomarker screening and insight into possible pathogenesis, Chromatographia, 2012, 75, 799-808. (IF = 2.044)
127. Liangxiao Zhang, Wei Fan, Dongsheng Cao, Maomao Zeng, Hongbin Xiao, Yizeng Liang*, Neutral losses: A type of important variables in prediction of branching degree for acyclic alkenes from mass spectra, Analytica Chimica Acta, 2012, 720, 16-21. (IF = 6.558)
128. Jun Yan, Dongsheng Cao (co-author), Fangqiu Guo, Liangxiao Zhang, Min He, Jianhua Huang, Qingsong Xu, Yizeng Liang*, Comparison of quantitative structure–retention relationship models on four stationary phases with different polarity for a diverse set of flavor compounds, Journal of Chromatography A, 2012, 1223, 118-125. (IF = 4.759)
129. Jidong Xia, Lunzhao Yi, Nian Liu, Xing Wei, Dongsheng Cao, Hongdong Li, Wei Fan, Wan Zhang, Dongsheng Wang, Yizeng Liang*, Human plasma metabolic profiles of coronary heart disease by gas chromatography mass spectrometry with Monte Carlo tree approach, Analytical Letters, 2012, 45, 2185-2197. (IF = 2.329)
130. Hongdong Li, Yizeng Liang*, Dongsheng Cao, Qingsong Xu, Model population analysis and its applications in chemical and biological modeling, TrAC Trends in Analytical Chemistry, 2012, 38, 154-162. (IF = 12.296)
131. Jianhua Huang, Dongsheng Cao (co-author), Jun Yan, Qingsong Xu, Qiannan Hu, Yizeng Liang*, Using core hydrophobicity to identify phosphorylation sites of human G protein coupled receptors, Biochimie, 2012, 94, 1697-1704. (IF = 4.079)
132. Min He, Yizeng Liang*, Zhimin Zhang, Yaping Li, Zhongda Zeng, Dongsheng Cao, Yonghuan Yun, Jun Yan, Investigation of chemical components variation in maxing shigan decoction by HPLC DAD, Journal of Liquid Chromatography & Related Technologies, 2012, 35, 2777-2794. (IF = 1.132)
133. Min He, Yaping Li, Jun Yan, Dongsheng Cao, Yizeng Liang*, Analysis of essential oils and fatty acids from Platycodi Radix using chemometric methods and retention indices, Journal of Chromatographic Science, 2012, 51, 318-330. (IF = 1.618)
134. Dongsheng Cao*, Jianchao Zhao, Yanning Yang, Chenxi Zhao, Jun Yan, Shao Liu, Qiannan Hu, Qingsong Xu, Yizeng Liang*, In silico toxicity prediction by support vector machine and SMILES representation based string kernel, SAR QSAR Environmental Research, 2012, 23, 141-153. (IF = 3.0)
135. Dongsheng Cao, Shao Liu, Qingsong Xu, Hongmei Lu, Jianhua Huang, Qiannan Hu, Yizeng Liang*, Large scale prediction of drug–target interactions using protein sequences and drug topological structures, Analytica Chimica Acta, 2012, 752, 1-10. (IF = 6.558)
136. Dongsheng Cao, Jianhua Huang, Jun Yan, Liangxiao Zhang, Qiannan Hu, Qingsong Xu, Yizeng Liang*, Kernel k nearest neighbor algorithm as a flexible SAR modeling tool, Chemometrics and Intelligent Laboratory Systems, 2012, 114, 19-23. (IF = 3.491)
137. Dongsheng Cao, Jianhua Huang, Yizeng Liang*, Qingsong Xu, Liangxiao Zhang, Tree based ensemble methods and their applications in analytical chemistry, TrAC Trends in Analytical Chemistry, 2012, 40, 158-167. (IF = 12.296)
138. Dongsheng Cao, Yanning Yang, Jianchao Zhao, Jun Yan, Shao Liu, Qiannan Hu, Qingsong Xu, Yizeng Liang*, Computer aided prediction of toxicity with substructure pattern and random forest, Journal of Chemometrics, 2012, 26, 7-15. (IF = 2.496)
139. Liangxiao Zhang, Wan Zhang, Dongsheng Cao, Maomao Zeng, Yizeng Liang*, Olav M Kvalheim, Resolving co eluting chromatographic patterns by means of dissimilarity analysis in iterative target transformation factor analysis, J Chromatography A, 2011, 1218, 7219-7225. (IF = 4.759)
140. Hongdong Li, Yizeng Liang*, Qingsong Xu, Dongsheng Cao, Binbin Tan, Baichuan Deng, Chenchen Lin, Recipe for uncovering predictive genes using support vector machines based on model population analysis, IEEE Acm Transactions on Computational Biology and Bioinformatics, 2011, 8, 1633-1641. (IF = 3.71)
141. Qiannan Hu*, Zhe Deng, Huanan Hu, Dongsheng Cao, Yizeng Liang, RxnFinder: biochemical reaction search engines using molecular structures, molecular fragments and reaction similarity, Bioinformatics, 2011, 27, 2465-2467. (IF = 6.937)
142. Guanghui Fu, Qingsong Xu, Hongdong Li, Dongsheng Cao, Yizeng Liang*, Elastic net grouping variable selection combined with partial least squares regression (EN PLSR) for the analysis of strongly multi collinear spectroscopic data, Applied Spectroscopy, 2011, 65, 402-408. (IF = 2.388)
143. Dongsheng Cao, Maomao Zeng, Lunzhao Yi, Bing Wang, Qingsong Xu, Qiannan Hu, Liangxiao Zhang, Hongmei Lu, Yizeng Liang*, A novel kernel Fisher discriminant analysis: constructing informative kernel by decision tree ensemble for metabolomics data analysis, Analytica Chimica Acta, 2011, 706, 97-104. (IF = 6.558)
144. Dongsheng Cao, Bing Wang, Maomao Zeng, Yizeng Liang*, Qingsong Xu, Liangxiao Zhang, Hongdong Li, Qiannan Hu, A new strategy of exploring metabolomics data using Monte Carlo tree, Analyst, 2011, 136, 947-954. (IF = 4.616)
145. Dongsheng Cao, Yizeng Liang*, Qingsong Xu, Qiannan Hu, Liangxiao Zhang, Guanghui Fu, Exploring nonlinear relationships in chemical data using kernel based methods, Chemometrics and Intelligent Laboratory Systems, 2011, 107, 106-115. (IF = 3.491)
146. Dongsheng Cao, Qiannan Hu, Qingsong Xu, Yanning Yang, Jianchao Zhao, Hongmei Lu, Liangxiao Zhang, Yizeng Liang*, In silico classification of human maximum recommended daily dose based on modified random forest and substructure fingerprint, Analytica Chimica Acta, 2011, 692, 50-56. (IF = 6.558)
147. Dongsheng Cao, Yizeng Liang*, Qingsong Xu, Liangxiao Zhang, Qiannan Hu, Hongdong Li, Feature importance sampling based adaptive random forest as a useful tool to screen underlying lead compounds, Journal of Chemometrics, 2011, 25, 201-207. (IF = 2.496)
148. Dongsheng Cao, Yizeng Liang*, Qingsong Xu, Yifeng Yun, Hongdong Li, Toward better QSAR/QSPR modeling: simultaneous outlier detection and variable selection using distribution of model features, Journal of Computer Aided Molecular Design, 2011, 25, 67-80. (IF = 3.686)
149. Liangxiao Zhang, Yifeng Yun, Yizeng Liang*, Dongsheng Cao, Discovery of mass spectral characteristics and automatic identification of wax esters from gas chromatography mass spectrometry data, J Chromatography A, 2010, 1217, 3695-3701. (IF = 4.759)
150. Maomao Zeng, Yang Xiao, Yizeng Liang*, Bing Wang, Xian Chen, Dongsheng Cao, Hongdong Li, Mei Wang, Zhiguang Zhou, Metabolic alterations of impaired fasting glucose by GC/MS based plasma metabolic profiling combined with chemometrics, Metabolomics, 2010, 6, 303-311. (IF = 4.29)
151. Maomao Zeng, Yizeng Liang*, Hongdong Li, Mei Wang, Bing Wang, Xian Chen, Neng Zhou, ongsheng Cao, Jing Wu, Plasma metabolic fingerprinting of childhood obesity by GC/MS in conjunction with multivariate statistical analysis, Journal of Pharmaceutical and Biomedical Analysis, 2010, 52, 265-272. (IF = 3.935)
152. Hongdong Li, Maomao Zeng, Binbin Tan, Yizeng Liang*, Qingsong Xu, Dongsheng Cao, Recipe for revealing informative metabolites based on model population analysis, Metabolomics, 2010, 6, 353-361. (IF = 4.29)
153. Hongdong Li, Yizeng Liang*, Qingsong Xu, Dongsheng Cao, Model population analysis for variable selection, Journal of Chemometrics, 2010, 24, 418-423. (IF = 2.496)
154. Dongsheng Cao, Qingsong Xu, Yizeng Liang*, Liangxiao Zhang, Hongdong Li, The boosting: A new idea of building models, Chemometrics and Intelligent Laboratory Systems, 2010, 100, 1-11. (IF = 3.491)
155. Dongsheng Cao, Qingsong Xu, Yizeng Liang*, Xian Chen, Hongdong Li, Automatic feature subset selection for decision tree based ensemble methods in the prediction of bioactivity, Chemometrics and Intelligent Laboratory Systems, 2010, 103, 129-136. (IF = 3.491)
156. Dongsheng Cao, Yizeng Liang*, Qingsong Xu, Hongdong Li, Xian Chen, A new strategy of outlier detection for QSAR/QSPR, J Computational Chemistry, 2010, 31, 592-602. (IF =3.376)
157. Hongdong Li, Yizeng Liang*, Qingsong Xu, Dongsheng Cao, Key wavelengths screening using competitive adaptive reweighted sampling method for multivariate calibration, Analytica Chimica Acta, 2009, 648, 77-84. (IF = 6.558)