{"id":"https://openalex.org/W1983248350","doi":"https://doi.org/10.1093/nar/gkr797","title":"Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery","display_name":"Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery","publication_year":2011,"publication_date":"2011-09-24","ids":{"openalex":"https://openalex.org/W1983248350","doi":"https://doi.org/10.1093/nar/gkr797","mag":"1983248350","pmid":"https://pubmed.ncbi.nlm.nih.gov/21948793"},"language":"en","primary_location":{"id":"doi:10.1093/nar/gkr797","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkr797","pdf_url":"https://academic.oup.com/nar/article-pdf/40/D1/D1128/9481506/gkr797.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://academic.oup.com/nar/article-pdf/40/D1/D1128/9481506/gkr797.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100755257","display_name":"Feng Zhu","orcid":"https://orcid.org/0000-0001-8069-0053"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"F. Zhu","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101886527","display_name":"Zhe Shi","orcid":"https://orcid.org/0000-0001-5308-6934"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"Z. Shi","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":null,"display_name":"C. Qin","orcid":null},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"C. Qin","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061697130","display_name":"Lin Tao","orcid":"https://orcid.org/0000-0001-7494-4758"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"L. Tao","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032809040","display_name":"Xin Liu","orcid":"https://orcid.org/0000-0002-6542-3181"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"X. Liu","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033399543","display_name":"Feng Xu","orcid":"https://orcid.org/0000-0001-9985-6527"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"F. Xu","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009495600","display_name":"Lexing Zhang","orcid":null},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"L. Zhang","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101773454","display_name":"Yun Gyu Song","orcid":"https://orcid.org/0000-0003-0164-6914"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"Y. Song","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032809040","display_name":"Xin Liu","orcid":"https://orcid.org/0000-0002-6542-3181"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"X. Liu","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012353992","display_name":"Jingjie Zhang","orcid":"https://orcid.org/0000-0001-8040-3608"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"J. Zhang","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069374807","display_name":"Bing Han","orcid":"https://orcid.org/0000-0001-8170-498X"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"B. Han","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100364153","display_name":"Peng Zhang","orcid":"https://orcid.org/0000-0002-6129-567X"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"P. Zhang","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5077700312","display_name":"Yu Chen","orcid":"https://orcid.org/0000-0002-5473-8022"},"institutions":[{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]}],"countries":["SG"],"is_corresponding":true,"raw_author_name":"Y. Chen","raw_affiliation_strings":["Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","National University of Singapore, Singapore, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics and Drug Design Group, Department of Pharmacy, and Center for Computational Science and Engineering, National University of Singapore, Singapore 117543, 2 NUS Graduate School for Integrative Sciences and Engineering, Singapore 117456, 3 College of Pharmacy and Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300071, People's Republic of China, 4 State Key Laboratory of Medicinal Chemistry & Biology, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, 5 Computation and Systems Biology, Singapore-MIT Alliance, National University of Singapore 117543 and 6 Computational Biology Program, National University of Singapore, Singapore 117543","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"National University of Singapore, Singapore, Singapore","institution_ids":["https://openalex.org/I165932596"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5077700312"],"corresponding_institution_ids":["https://openalex.org/I165932596"],"apc_list":{"value":3630,"currency":"USD","value_usd":3630},"apc_paid":{"value":3630,"currency":"USD","value_usd":3630},"fwci":33.5335,"has_fulltext":false,"cited_by_count":488,"citation_normalized_percentile":{"value":0.99872333,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"40","issue":"D1","first_page":"D1128","last_page":"D1136"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11440","display_name":"Click Chemistry and Applications","score":0.9943000078201294,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.986299991607666,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.7398925423622131},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.7254313230514526},{"id":"https://openalex.org/keywords/clinical-trial","display_name":"Clinical trial","score":0.6221907734870911},{"id":"https://openalex.org/keywords/drug-development","display_name":"Drug development","score":0.5486657023429871},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.49766257405281067},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.4796712398529053},{"id":"https://openalex.org/keywords/approved-drug","display_name":"Approved drug","score":0.46780088543891907},{"id":"https://openalex.org/keywords/drug-target","display_name":"Drug target","score":0.43351417779922485},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.40561267733573914},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.37995901703834534},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.37762314081192017},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.2875173091888428}],"concepts":[{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.7398925423622131},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.7254313230514526},{"id":"https://openalex.org/C535046627","wikidata":"https://www.wikidata.org/wiki/Q30612","display_name":"Clinical trial","level":2,"score":0.6221907734870911},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.5486657023429871},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.49766257405281067},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.4796712398529053},{"id":"https://openalex.org/C2777494893","wikidata":"https://www.wikidata.org/wiki/Q4781752","display_name":"Approved drug","level":3,"score":0.46780088543891907},{"id":"https://openalex.org/C2989108626","wikidata":"https://www.wikidata.org/wiki/Q904407","display_name":"Drug target","level":2,"score":0.43351417779922485},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.40561267733573914},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.37995901703834534},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.37762314081192017},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.2875173091888428}],"mesh":[{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D002986","descriptor_name":"Clinical Trials as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002986","descriptor_name":"Clinical Trials as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002986","descriptor_name":"Clinical Trials as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002986","descriptor_name":"Clinical Trials as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004359","descriptor_name":"Drug Therapy, Combination","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004359","descriptor_name":"Drug Therapy, Combination","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004359","descriptor_name":"Drug Therapy, Combination","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004359","descriptor_name":"Drug Therapy, Combination","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":5,"locations":[{"id":"doi:10.1093/nar/gkr797","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkr797","pdf_url":"https://academic.oup.com/nar/article-pdf/40/D1/D1128/9481506/gkr797.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},{"id":"pmid:21948793","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21948793","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic acids research","raw_type":null},{"id":"pmh:oai:scholarbank.nus.edu.sg:10635/106455","is_oa":false,"landing_page_url":"http://scholarbank.nus.edu.sg/handle/10635/106455","pdf_url":null,"source":{"id":"https://openalex.org/S7407052290","display_name":"National University of Singapore","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Scopus","raw_type":"Article"},{"id":"pmh:oai:open-archive.highwire.org:nar:40/D1/D1128","is_oa":false,"landing_page_url":"http://nar.oxfordjournals.org/cgi/content/short/40/D1/D1128","pdf_url":null,"source":{"id":"https://openalex.org/S4406923041","display_name":"HighWire Press Open Archive","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"TEXT"},{"id":"pmh:oai:pubmedcentral.nih.gov:3245130","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3245130","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Nucleic Acids Res","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/nar/gkr797","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkr797","pdf_url":"https://academic.oup.com/nar/article-pdf/40/D1/D1128/9481506/gkr797.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1983248350.pdf"},"referenced_works_count":55,"referenced_works":["https://openalex.org/W1460836477","https://openalex.org/W1485382552","https://openalex.org/W1592483428","https://openalex.org/W1966687213","https://openalex.org/W1968682237","https://openalex.org/W1972773608","https://openalex.org/W1978591675","https://openalex.org/W1986894741","https://openalex.org/W1994693522","https://openalex.org/W1998596454","https://openalex.org/W1999118725","https://openalex.org/W2005061481","https://openalex.org/W2010750139","https://openalex.org/W2014832267","https://openalex.org/W2017081079","https://openalex.org/W2023715953","https://openalex.org/W2024674972","https://openalex.org/W2025421550","https://openalex.org/W2029335938","https://openalex.org/W2030211802","https://openalex.org/W2033929941","https://openalex.org/W2034537627","https://openalex.org/W2035938088","https://openalex.org/W2054462540","https://openalex.org/W2060645072","https://openalex.org/W2061136308","https://openalex.org/W2064073012","https://openalex.org/W2065303540","https://openalex.org/W2069676201","https://openalex.org/W2071551353","https://openalex.org/W2071755751","https://openalex.org/W2083418286","https://openalex.org/W2085420192","https://openalex.org/W2086442285","https://openalex.org/W2096525273","https://openalex.org/W2096864392","https://openalex.org/W2103562758","https://openalex.org/W2105718579","https://openalex.org/W2118958548","https://openalex.org/W2123590349","https://openalex.org/W2124561517","https://openalex.org/W2125508747","https://openalex.org/W2135732933","https://openalex.org/W2137052779","https://openalex.org/W2137705897","https://openalex.org/W2140595402","https://openalex.org/W2141474275","https://openalex.org/W2145465608","https://openalex.org/W2161897582","https://openalex.org/W2163646378","https://openalex.org/W2171753456","https://openalex.org/W2803560454","https://openalex.org/W4232855656","https://openalex.org/W4240545411","https://openalex.org/W4244606935"],"related_works":["https://openalex.org/W2470067656","https://openalex.org/W2188607138","https://openalex.org/W2127264463","https://openalex.org/W2764191054","https://openalex.org/W2553548503","https://openalex.org/W3045995536","https://openalex.org/W1967404732","https://openalex.org/W2226749982","https://openalex.org/W1968386238","https://openalex.org/W4390702589"],"abstract_inverted_index":{"Knowledge":[0],"and":[1,10,16,19,36,42,51,70,76,92,104,157,160,185,190,192,198],"investigation":[2],"of":[3,64,94,114,195],"therapeutic":[4],"targets":[5,35,69,75],"(responsible":[6],"for":[7,101,111,172,181],"drug":[8,17,129,140,187,199],"efficacy)":[9],"the":[11,37,61,124,163,169,193],"targeted":[12],"drugs":[13,72,159,197],"facilitate":[14],"target":[15,81,95,137,183],"discovery":[18,184,189],"validation.":[20],"Therapeutic":[21],"Target":[22],"Database":[23],"(TTD,":[24],"http://bidd.nus.edu.sg/group/ttd/ttd.asp)":[25],"has":[26],"been":[27,54],"developed":[28],"to":[29,56,60,73,162],"provide":[30],"comprehensive":[31],"information":[32,83,166],"about":[33],"efficacy":[34],"corresponding":[38],"approved,":[39,154],"clinical":[40,155,164,174],"trial":[41,156,165,175],"investigative":[43],"drugs.":[44,176],"Since":[45],"its":[46],"last":[47],"update,":[48],"major":[49],"improvements":[50],"updates":[52,178],"have":[53],"made":[55],"TTD.":[57],"In":[58],"addition":[59],"significant":[62],"increase":[63],"data":[65,125],"content":[66],"(from":[67],"1894":[68],"5028":[71],"2025":[74],"17,816":[77],"drugs),":[78],"we":[79,122],"added":[80,123],"validation":[82],"(drug":[84],"potency":[85],"against":[86,89,118,135],"target,":[87],"effect":[88,93],"disease":[90],"models":[91,110],"knockout,":[96],"knockdown":[97],"or":[98,148],"genetic":[99],"variations)":[100],"932":[102],"targets,":[103],"841":[105],"quantitative":[106],"structure":[107],"activity":[108],"relationship":[109],"active":[112],"compounds":[113],"228":[115],"chemical":[116],"types":[117],"121":[119],"targets.":[120],"Moreover,":[121],"from":[126],"our":[127],"previous":[128],"studies":[130],"including":[131],"3681":[132],"multi-target":[133,196],"agents":[134],"108":[136],"pairs,":[138],"116":[139],"combinations":[141],"with":[142],"their":[143],"synergistic,":[144],"additive,":[145],"antagonistic,":[146],"potentiative":[147],"reductive":[149],"mechanisms,":[150],"1427":[151],"natural":[152],"product-derived":[153],"pre-clinical":[158],"cross-links":[161],"page":[167],"in":[168],"ClinicalTrials.gov":[170],"database":[171],"770":[173],"These":[177],"are":[179],"useful":[180],"facilitating":[182],"validation,":[186],"lead":[188],"optimization,":[191],"development":[194],"combinations.":[200]},"counts_by_year":[{"year":2026,"cited_by_count":7},{"year":2025,"cited_by_count":7},{"year":2024,"cited_by_count":17},{"year":2023,"cited_by_count":22},{"year":2022,"cited_by_count":56},{"year":2021,"cited_by_count":23},{"year":2020,"cited_by_count":21},{"year":2019,"cited_by_count":27},{"year":2018,"cited_by_count":53},{"year":2017,"cited_by_count":39},{"year":2016,"cited_by_count":55},{"year":2015,"cited_by_count":48},{"year":2014,"cited_by_count":50},{"year":2013,"cited_by_count":47},{"year":2012,"cited_by_count":16}],"updated_date":"2026-07-15T18:14:33.161393","created_date":"2025-10-10T00:00:00"}