qMol: A Web Server for Efficient Molecular Queries Using Fragment-Based Reduced Graphs
Year: 2025
Type: article
Language: en
Topic: Computational Drug Discovery Methods
Authors and affiliations:
raw_author_name: Weiyu Zhou
raw_affiliation_strings: East China Normal University
NYU-ECNU Center for Computational Chemistry at NYU Shanghai
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China
raw_author_name: Dongliang Ke
raw_affiliation_strings: East China Normal University
NYU-ECNU Center for Computational Chemistry at NYU Shanghai
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China
raw_author_name: Zhihan Zhang
raw_affiliation_strings: East China Normal University
NYU-ECNU Center for Computational Chemistry at NYU Shanghai
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China
NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai, 200062, China
raw_author_name: Chengshan Jin
raw_affiliation_strings: East China Normal University
NYU-ECNU Center for Computational Chemistry at NYU Shanghai
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China
raw_author_name: Yi Wu
raw_affiliation_strings: East China Normal University
NYU-ECNU Center for Computational Chemistry at NYU Shanghai
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China
raw_author_name: Xiaolin Pan
raw_affiliation_strings: East China Normal University
NYU-ECNU Center for Computational Chemistry at NYU Shanghai
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China
raw_author_name: Xingyu Wang
raw_affiliation_strings: East China Normal University
NYU-ECNU Center for Computational Chemistry at NYU Shanghai
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China
raw_author_name: Xudong Xiao
raw_affiliation_strings: East China Normal University
NYU-ECNU Center for Computational Chemistry at NYU Shanghai
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China
raw_author_name: Kun Zhang
raw_affiliation_strings: East China Normal University
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China
raw_author_name: Changge Ji
raw_affiliation_strings: East China Normal University
NYU-ECNU Center for Computational Chemistry at NYU Shanghai
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering
State Key Laboratory of Petroleum Molecular and Process Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China