| Deep learning for drug design: an artificial intelligence paradigm for drug discovery in the big data era Y Jing, Y Bian, Z Hu, L Wang, XQS Xie The AAPS journal 20, 1-10, 2018 | 415 | 2018 |
| PPSP: prediction of PK-specific phosphorylation site with Bayesian decision theory Y Xue, A Li, L Wang, H Feng, X Yao BMC bioinformatics 7, 1-12, 2006 | 263 | 2006 |
| AlzPlatform: an Alzheimer’s disease domain-specific chemogenomics knowledgebase for polypharmacology and target identification research H Liu, L Wang, M Lv, R Pei, P Li, Z Pei, Y Wang, W Su, XQ Xie Journal of chemical information and modeling 54 (4), 1050-1060, 2014 | 246 | 2014 |
| TargetHunter: An In Silico Target Identification Tool for Predicting Therapeutic Potential of Small Organic Molecules Based on Chemogenomic Database L Wang, C Ma, P Wipf, H Liu, W Su, XQ Xie The AAPS journal 15, 395-406, 2013 | 233 | 2013 |
| Molecular fingerprint-based artificial neural networks QSAR for ligand biological activity predictions KZ Myint, L Wang, Q Tong, XQ Xie Molecular pharmaceutics 9 (10), 2912-2923, 2012 | 147 | 2012 |
| Modeling, molecular dynamics simulation, and mutation validation for structure of cannabinoid receptor 2 based on known crystal structures of GPCRs Z Feng, MH Alqarni, P Yang, Q Tong, A Chowdhury, L Wang, XQ Xie Journal of chemical information and modeling 54 (9), 2483-2499, 2014 | 114 | 2014 |
| Comparative normal/failing rat myocardium cell membrane chromatographic analysis system for screening specific components that counteract doxorubicin-induced heart failure from … X Chen, Y Cao, H Zhang, Z Zhu, M Liu, H Liu, X Ding, Z Hong, W Li, D Lv, ... Analytical chemistry 86 (10), 4748-4757, 2014 | 108 | 2014 |
| Network pharmacology analyses of the antithrombotic pharmacological mechanism of Fufang Xueshuantong Capsule with experimental support using disseminated intravascular … S Sheng, J Wang, L Wang, H Liu, P Li, M Liu, C Long, C Xie, X Xie, W Su Journal of ethnopharmacology 154 (3), 735-744, 2014 | 100 | 2014 |
| GPU accelerated chemical similarity calculation for compound library comparison C Ma, L Wang, XQ Xie Journal of chemical information and modeling 51 (7), 1521-1527, 2011 | 88 | 2011 |
| Latest Advances in Novel Cannabinoid Cb2 Ligands for Drug Abuse and Their Therapeutic Potential P Yang, L Wang, XQ Xie Future medicinal chemistry 4 (2), 187-204, 2012 | 67 | 2012 |
| Lead Discovery, Chemistry Optimization, and Biological Evaluation Studies of Novel Biamide Derivatives as CB2 Receptor Inverse Agonists and Osteoclast Inhibitors P Yang, KZ Myint, Q Tong, R Feng, H Cao, AA Almehizia, MH Alqarni, ... Journal of medicinal chemistry 55 (22), 9973-9987, 2012 | 64 | 2012 |
| Computational systems pharmacology analysis of cannabidiol: a combination of chemogenomics-knowledgebase network analysis and integrated in silico modeling and simulation Y Bian, X He, Y Jing, L Wang, J Wang, XQ Xie Acta Pharmacologica Sinica 40 (3), 374-386, 2019 | 63 | 2019 |
| Computational Target Fishing: What Should Chemogenomics Researchers Expect for the Future of in silico Drug Design and Discovery? L Wang, XQ Xie Future medicinal chemistry 6 (3), 247-249, 2014 | 62 | 2014 |
| Small-molecule inhibitors targeting INK4 protein p18INK4C enhance ex vivo expansion of haematopoietic stem cells Y Gao, P Yang, H Shen, H Yu, X Song, L Zhang, P Zhang, H Cheng, Z Xie, ... Nature communications 6 (1), 6328, 2015 | 58 | 2015 |
| Analysis of substance use and its outcomes by machine learning I. Childhood evaluation of liability to substance use disorder Y Jing, Z Hu, P Fan, Y Xue, L Wang, RE Tarter, L Kirisci, J Wang, ... Drug and alcohol dependence 206, 107605, 2020 | 54 | 2020 |
| Novel triaryl sulfonamide derivatives as selective cannabinoid receptor 2 inverse agonists and osteoclast inhibitors: discovery, optimization, and biological evaluation P Yang, L Wang, R Feng, AA Almehizia, Q Tong, KZ Myint, Q Ouyang, ... Journal of medicinal chemistry 56 (5), 2045-2058, 2013 | 54 | 2013 |
| 64Cu-Labeled Somatostatin Analogues Conjugated with Cross-Bridged Phosphonate-Based Chelators via Strain-Promoted Click Chemistry for PET Imaging: In … Z Cai, Q Ouyang, D Zeng, KN Nguyen, J Modi, L Wang, AG White, ... Journal of medicinal chemistry 57 (14), 6019-6029, 2014 | 46 | 2014 |
| Identification and characterization of human apurinic/apyrimidinic endonuclease-1 inhibitors A Srinivasan, L Wang, CJ Cline, Z Xie, RW Sobol, XQ Xie, B Gold Biochemistry 51 (31), 6246-6259, 2012 | 45 | 2012 |
| Prediction of orthosteric and allosteric regulations on cannabinoid receptors using supervised machine learning classifiers Y Bian, Y Jing, L Wang, S Ma, JJ Jun, XQ Xie Molecular pharmaceutics 16 (6), 2605-2615, 2019 | 42 | 2019 |
| Cardiovascular disease chemogenomics knowledgebase-guided target identification and drug synergy mechanism study of an herbal formula H Zhang, S Ma, Z Feng, D Wang, C Li, Y Cao, X Chen, A Liu, Z Zhu, ... Scientific reports 6 (1), 33963, 2016 | 41 | 2016 |
