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 | 3057 | 2019 |
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 | 2934 | 2021 |
PubChem 2023 update S Kim, J Chen, T Cheng, A Gindulyte, J He, S He, Q Li, BA Shoemaker, ... Nucleic acids research 51 (D1), D1373-D1380, 2023 | 1036 | 2023 |
Structure-based virtual screening for drug discovery: a problem-centric review T Cheng, Q Li, Z Zhou, Y Wang, SH Bryant The AAPS journal 14, 133-141, 2012 | 679 | 2012 |
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 | 400 | 2010 |
Prediction of potential drug targets based on simple sequence properties Q Li, L Lai BMC bioinformatics 8, 1-11, 2007 | 149 | 2007 |
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 51 (9), 2440-2448, 2011 | 92 | 2011 |
Structure-based virtual screening Q Li, S Shah Protein Bioinformatics: From Protein Modifications and Networks to …, 2017 | 88 | 2017 |
PSI‐DOCK: Towards highly efficient and accurate flexible ligand docking J Pei, Q Wang, Z Liu, Q Li, K Yang, L Lai Proteins: Structure, Function, and Bioinformatics 62 (4), 934-946, 2006 | 86 | 2006 |
A novel method for mining highly imbalanced high-throughput screening data in PubChem Q Li, Y Wang, SH Bryant Bioinformatics 25 (24), 3310-3316, 2009 | 82 | 2009 |
The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry H Mohammed Taha, R Aalizadeh, N Alygizakis, JP Antignac, HPH Arp, ... Environmental Sciences Europe 34 (1), 104, 2022 | 61 | 2022 |
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 51 (2), 229-236, 2011 | 60 | 2011 |
The small β-barrel domain: a survey-based structural analysis P Youkharibache, S Veretnik, Q Li, KA Stanek, C Mura, PE Bourne Structure 27 (1), 6-26, 2019 | 52 | 2019 |
A large descriptor set and a probabilistic kernel-based classifier significantly improve druglikeness classification Q Li, A Bender, J Pei, L Lai Journal of chemical information and modeling 47 (5), 1776-1786, 2007 | 52 | 2007 |
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 434 (11), 167514, 2022 | 49 | 2022 |
A combinatorial score to distinguish biological and nonbiological protein–protein interfaces S Liu, Q Li, L Lai Proteins: Structure, Function, and Bioinformatics 64 (1), 68-78, 2006 | 34 | 2006 |
Molecular similarity: advances in methods, applications and validations in virtual screening and QSAR A Bender, JL Jenkins, Q Li, SE Adams, EO Cannon, RC Glen Annual reports in computational chemistry 2, 141-168, 2006 | 19 | 2006 |
Discovering and summarizing relationships between chemicals, genes, proteins, and diseases in PubChem L Zaslavsky, T Cheng, A Gindulyte, S He, S Kim, Q Li, P Thiessen, B Yu, ... Frontiers in research metrics and analytics 6, 689059, 2021 | 17 | 2021 |
Singleton Property Graph: Adding A Semantic Web Abstraction Layer to Graph Databases. V Nguyen, HY Yip, H Thakkar, Q Li, E Bolton, O Bodenreider BlockSW/CKG@ ISWC 2599, 1-13, 2019 | 11 | 2019 |
Characterizing protein domain associations by Small-molecule ligand binding Q Li, T Cheng, Y Wang, SH Bryant Journal of proteome science and computational biology 1, 2012 | 8 | 2012 |