| PubChem in 2021: new data content and improved web interfaces S Kim, J Chen, T Cheng, A Gindulyte, J He, S He, Q Li, BA Shoemaker, ... Nucleic acids research 49 (D1), D1388-D1395, 2021 | 3372 | 2021 |
| PubChem 2019 update: improved access to chemical data S Kim, J Chen, T Cheng, A Gindulyte, J He, S He, Q Li, BA Shoemaker, ... Nucleic acids research 47 (D1), D1102-D1109, 2019 | 3354 | 2019 |
| Computation of octanol− water partition coefficients by guiding an additive model with knowledge T Cheng, Y Zhao, X Li, F Lin, Y Xu, X Zhang, Y Li, R Wang, L Lai Journal of chemical information and modeling 47 (6), 2140-2148, 2007 | 873 | 2007 |
| Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review T Cheng, Q Li, Z Zhou, Y Wang, SH Bryant The AAPS Journal, 1-9, 2012 | 705 | 2012 |
| Comparative assessment of scoring functions on a diverse test set T Cheng, X Li, Y Li, Z Liu, R Wang Journal of chemical information and modeling 49 (4), 1079-1093, 2009 | 603 | 2009 |
| Pubchem bioassay: 2017 update Y Wang, SH Bryant, T Cheng, J Wang, A Gindulyte, BA Shoemaker, ... Nucleic acids research 45 (D1), D955-D963, 2017 | 593 | 2017 |
| PubChem as a public resource for drug discovery Q Li, T Cheng, Y Wang, SH Bryant Drug discovery today 15 (23-24), 1052-1057, 2010 | 416 | 2010 |
| PubChem bioassay: 2014 update Y Wang, T Suzek, J Zhang, J Wang, S He, T Cheng, BA Shoemaker, ... Nucleic acids research 42 (D1), D1075-D1082, 2014 | 329 | 2014 |
| Evaluation of the performance of four molecular docking programs on a diverse set of protein‐ligand complexes X Li, Y Li, T Cheng, Z Liu, R Wang Journal of Computational Chemistry 31 (11), 2109-2125, 2010 | 165 | 2010 |
| Predicting drug–drug interactions through drug structural similarities and interaction networks incorporating pharmacokinetics and pharmacodynamics knowledge T Takeda, M Hao, T Cheng, SH Bryant, Y Wang Journal of cheminformatics 9 (1), 1-9, 2017 | 117 | 2017 |
| An update on PUG-REST: RESTful interface for programmatic access to PubChem S Kim, PA Thiessen, T Cheng, B Yu, EE Bolton Nucleic acids research 46 (W1), W563-W570, 2018 | 115 | 2018 |
| The NORMAN Suspect List Exchange (NORMAN-SLE): Facilitating European and Worldwide Collaboration on Suspect Screening in High Resolution Mass Spectrometry HM Taha, R Aalizadeh, N Alygizakis, JP Antignac, HPH Arp, R Bade, ... | 100* | 2022 |
| Identifying Compound-Target Associations by Combining Bioactivity Profile Similarity Search and Public Databases Mining T Cheng, Q Li, Y Wang, SH Bryant Journal of Chemical Information and Modeling, 2011 | 95 | 2011 |
| Plant Reactome: a knowledgebase and resource for comparative pathway analysis S Naithani, P Gupta, J Preece, P D’Eustachio, JL Elser, P Garg, ... Nucleic acids research 48 (D1), D1093-D1103, 2020 | 92 | 2020 |
| Literature information in PubChem: associations between PubChem records and scientific articles S Kim, PA Thiessen, T Cheng, B Yu, BA Shoemaker, J Wang, EE Bolton, ... Journal of cheminformatics 8 (1), 1-15, 2016 | 85 | 2016 |
| PubChem applications in drug discovery: a bibliometric analysis T Cheng, Y Pan, M Hao, Y Wang, SH Bryant Drug discovery today 19 (11), 1751-1756, 2014 | 81 | 2014 |
| Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection T Cheng, Q Li, Y Wang, SH Bryant Journal of chemical information and modeling, 2011 | 64 | 2011 |
| PubChem Protein, Gene, Pathway, and Taxonomy Data Collections: Bridging Biology and Chemistry through Target-Centric Views of PubChem Data S Kim, T Cheng, S He, PA Thiessen, Q Li, A Gindulyte, EE Bolton Journal of Molecular Biology, 167514, 2022 | 62 | 2022 |
| PUG-View: programmatic access to chemical annotations integrated in PubChem S Kim, PA Thiessen, T Cheng, J Zhang, A Gindulyte, EE Bolton Journal of cheminformatics 11 (1), 1-11, 2019 | 58 | 2019 |
| Large-scale prediction of drug-target interaction: a data-centric review T Cheng, M Hao, T Takeda, SH Bryant, Y Wang The AAPS journal 19 (5), 1264-1275, 2017 | 53 | 2017 |
Renxiao WangFudan UniversityVerified email at fudan.edu.cn