Office: 528 Salk Hall

Phone: 412-624-8118


Dr. Lirong Wang is an Assistant Professor of Pharmaceutical Sciences, Scientific Administrator of Computational Chemical Genomics Screening (CCGS) Center (, School of Pharmacy.

Dr. Wang obtained his PhD degree from University of Science and Technology of China in 2007. He then received postdoctoral training in Dr. Xiang-Qun Xie group at the School of Pharmacy, University of Pittsburgh.

His research mainly focuses on the Chemogenomics/Chemoinformatics algorithm and online Tools development. He is the author or coauthor of more than 20 journal articles and he has designed a lot of online tools of chemogenomics/chemoinformatics.

Dr. Wang is a key co-investigator in the NIH granted projects R01 NLM 015417, R01 DA025612, NIGMP50 UPCMLD project and NCI UP-CDC project. Dr. Wang has served as ad hoc reviewer for AAPS Journal, JCIM, Bioinformatics, JMC, Journal of Cheminformatics.

1. Lirong Wang, Chao Ma, Peter Wipf and Xiang-Qun Xie. “In Silico Target Identification. TargetHunter for Predicting Therapeutic Potential of Small Organic Molecules Based on Chemogenomic Database”. AAPS J(manuscript submitted).
2. Manuj Tandon*, Lirong Wang*, Qi Xu, Xiang-Qun Xie, Peter Wipf* and Q. Jane Wang*. “A Targeted Library Screen Reveals a New Selective Inhibitor Scaffold for Protein Kinase D”. Plos One. 2012;7(9):e44653 (*these authors contributed equally)
3. Yang P, Myint KZ, Tong Q, Feng R, Cao H, Almehizia AA, Hamed AM, Wang L, Bartlow P, Gao Y, Gertsch J, Teramachi J, Kurihara N, Roodman GD, Cheng T, Xie XQ. “Lead Discovery, Chemistry Optimization and Biological Evaluation Studies of Novel Bi-amide Derivatives as CB2 Receptor Inverse Agonists and Osteoclast Inhibitors.” J Med Chem. 2012 Oct 16.
4. Kyaw-Zeyar Myint, Lirong Wang, Qin Tong and Xiang-Qun Xie. “Fingerprint-based Artificial Neural Networks QSAR (FANN-QSAR) for Ligand Biological Activity Predictions”. Mol. Pharm. 2012 Oct 1;9(10):2912-23
5. Kay M. Brummond, John Goodell, Matthew LaPorte, Lirong Wang and Xiang-Qun Xie. “Synthesis and In Silico Screening of a Library of Carboline-Containing Compounds”. Beilstein J. Org. Chem. 2012, 8, 1048–1058.
6. Ajay Srinivasan, Lirong Wang, Cari J. Cline,Zhaojun Xie,Robert W. Sobol, Xiang-Qun Xie and Barry Gold. “The Identification and Characterization of Human AP Endonuclease-1 Inhibitors”. Biochemistry, 2012, 51 (31), pp 6246–6259
7. Peng Yang, Lirong Wang and Xiang-Qun Xie. Latest advances in novel cannabinoid CB2 ligands for drug abuse and their therapeutic potential. Future 2012, 4(2):187-204.
8. Lirong Wang, Chao Ma and Xiang-Qun Xie. “Linear and Non-linear Support Vector Machine for the Classification of Human 5-HT1A Ligand Functionality”, Molecular Informatics, 2012. 31(1): p. 85-95.
9. Yuxun Zhang, Zhaojun Xie, Lirong Wang, Brielle Schreiter, John S Lazo, Jurg Gertsch, Xiang-Qun Xie. “Mutagenesis and computer modeling studies of a GPCR conserved residue W5.43(194) in ligand recognition and signal transduction for CB2 receptor”, Int Immunopharmacol. 11( 9), Sep. 2011, 1303–1310
10. Kyaw Myint, Chao Ma, Lirong Wang and Xiang-Qun Xie. “Fragment-based QSAR Algorithm Development for Compound Bioactivity Prediction”, SAR QSAR Environ Res. 2011 Jun;22(3):385-410
11. Chao Ma, Lirong Wang and Xiang-Qun Xie. “GPU Accelerated Chemical Similarity Calculation for Compound Library Comparison”, J. Chem. Inf. Model., Publication Date (Web): June 21, 2011
12. Thomas O. Painter, Lirong Wang, Supriyo Majumder, Xiang-Qun Xie and Kay M. Brummond. “Diverging DOS Strategy Using an Allene-Containing Tryptophan Scaffold and a Library Design that Maximizes Biologically Relevant Chemical Space While Minimizing the Number of Compounds”, ACS Comb Sci. 2011 Mar 14;13(2):166-74
13. Chao Ma, Lirong Wang and Xiang-Qun Xie. “Ligand Classifier of Adaptively Boosting Ensemble Decision Stumps (LiCABEDS) and Its Application on Modeling Ligand Functionality for 5HT-Subtype GPCR Families”, J Chem Inf Model. 2011 Mar 28;51(3):521-31.
14. Lirong Wang, Zhaojun Xie, Peter Wipf and Xiang-Qun Xie. “Residue Preference Mapping of Ligand Fragments in PDB”, J Chem Inf Model. 25;51(4):807-15. Epub 2011 Mar 18.
15. Lirong Wang, Peter Wipf and Xiang-Qun Xie, “HTDocking- identifying possible targets for small molecules by high throughput docking algorithm”,
16. Lirong Wang, Peter Wipf and Xiang-Qun Xie, “TargetHunter- an online tool for identifying possible targets of small molecules by similarity search algorithm”,
17. Lirong Wang, Peter Wipf and Xiang-Qun Xie, “Pan Assay Interference Compounds(PAINS) Remover”,
18. Lirong Wang and Xiang-Qun Xie, “An Online Blood-brain Barrier Predictor (fBBB) Based on Molecular Fingerprints”,
19. Lirong Wang, Peter Wipf and Xiang-Qun Xie, “UPCMLD compounds Website”,
20. Lirong Wang, Peter Wipf and Xiang-Qun Xie, “Web-Interfaced GDB-13, Making a Billion of Virtual Chemicals Online” ,
21. Lirong Wang and Xiang-Qun Xie, “Online Machine Learning-based Ligand functionality Classifier” ,
22. Lirong Wang, Junmei Wang, Chao Ma, Kyaw Myint, and Xiang-Qun Xie, “CBLigand database, a Comprehensive Cannabinoid ligand database”,
23. Wenlong Xu, Minghui Wang, Xianghua Zhang, Lirong Wang and Huanqing Feng. “SDED: A novel filter method for cancer-related gene selection”, Bioinformation 2008, 2, (7), 301-3.
24. Lirong Wang, Zhaohui Jiang, Wenlong Xu and Huanqing Feng. “Analysis of Abnormal Transcription Factors and Pathways from Gastric Cancer Chips”, Journal of University of Science and Technology of China 2007, 12, 1539-04(in Chinese)
25. Minghui Wang, Lirong Wang, Wenlong Xu, Xiaojun Lin, Zhaohui Jiang and Huanqing Feng “Phosphorylation Site Prediction Based on K-Nearest Neighbor Algorithm and BLOSUM62 Matrix ”, Chinese Journal of Biomedical Engineering 2007, 26, 404-408 (in Chinese)
26. Yu Xue, Ao Li, Lirong Wang, Huanqing Feng and Xuebiao Yao. “PPSP: prediction of PK-specific phosphorylation site with Bayesian decision theory”, BMC Bioinformatics 2006, 7, 163.
27. Ao Li, Lirong Wang, Yunzhou Shi, Minghui Wang, Zhaohui Jiang and Huangqing Feng. “Phosphorylation site prediction with a modified k-nearest neighbor algorithm and BLOSUM62 matrix.” Conf Proc IEEE Eng Med Biol Soc 2005, 6, 6075-8.
28. Lirong Wang and Huanqing Feng. “Mining Biomedical Literature Based on Bayesian Statistics”, Chinese Journal of Biomedical Engineering 2006, 25, 438-441(in Chinese)