{"id":"https://openalex.org/W2167776765","doi":"https://doi.org/10.1186/1758-2946-6-28","title":"iDrug: a web-accessible and interactive drug discovery and design platform","display_name":"iDrug: a web-accessible and interactive drug discovery and design platform","publication_year":2014,"publication_date":"2014-05-23","ids":{"openalex":"https://openalex.org/W2167776765","doi":"https://doi.org/10.1186/1758-2946-6-28","mag":"2167776765","pmid":"https://pubmed.ncbi.nlm.nih.gov/24955134"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-6-28","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-6-28","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-6-28","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-6-28","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100725508","display_name":"Xia Wang","orcid":"https://orcid.org/0000-0002-2136-8467"},"institutions":[{"id":"https://openalex.org/I143593769","display_name":"East China University of Science and Technology","ror":"https://ror.org/01vyrm377","country_code":"CN","type":"education","lineage":["https://openalex.org/I143593769"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xia Wang","raw_affiliation_strings":["Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China","Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China","institution_ids":["https://openalex.org/I143593769"]},{"raw_affiliation_string":"Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China","institution_ids":["https://openalex.org/I143593769"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100627249","display_name":"Haipeng Chen","orcid":"https://orcid.org/0000-0002-9589-8305"},"institutions":[{"id":"https://openalex.org/I143593769","display_name":"East China University of Science and Technology","ror":"https://ror.org/01vyrm377","country_code":"CN","type":"education","lineage":["https://openalex.org/I143593769"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Haipeng Chen","raw_affiliation_strings":["School of Information Science and Engineering, East China University of Science and Technology, Shanghai 200237, China","School of Information Science and Engineering, East China University of Science and Technology, Shanghai, 200237, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Information Science and Engineering, East China University of Science and Technology, Shanghai 200237, China","institution_ids":["https://openalex.org/I143593769"]},{"raw_affiliation_string":"School of Information Science and Engineering, East China University of Science and Technology, Shanghai, 200237, China","institution_ids":["https://openalex.org/I143593769"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102714780","display_name":"Feng Yang","orcid":"https://orcid.org/0000-0003-2193-8551"},"institutions":[{"id":"https://openalex.org/I143593769","display_name":"East China University of Science and Technology","ror":"https://ror.org/01vyrm377","country_code":"CN","type":"education","lineage":["https://openalex.org/I143593769"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Feng Yang","raw_affiliation_strings":["School of Information Science and Engineering, East China University of Science and Technology, Shanghai 200237, China","School of Information Science and Engineering, East China University of Science and Technology, Shanghai, 200237, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Information Science and Engineering, East China University of Science and Technology, Shanghai 200237, China","institution_ids":["https://openalex.org/I143593769"]},{"raw_affiliation_string":"School of Information Science and Engineering, East China University of Science and Technology, Shanghai, 200237, China","institution_ids":["https://openalex.org/I143593769"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088265807","display_name":"Jiayu Gong","orcid":"https://orcid.org/0009-0002-0837-2725"},"institutions":[{"id":"https://openalex.org/I143593769","display_name":"East China University of Science and Technology","ror":"https://ror.org/01vyrm377","country_code":"CN","type":"education","lineage":["https://openalex.org/I143593769"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jiayu Gong","raw_affiliation_strings":["School of Information Science and Engineering, East China University of Science and Technology, Shanghai 200237, China","School of Information Science and Engineering, East China University of Science and Technology, Shanghai, 200237, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Information Science and Engineering, East China University of Science and Technology, Shanghai 200237, China","institution_ids":["https://openalex.org/I143593769"]},{"raw_affiliation_string":"School of Information Science and Engineering, East China University of Science and Technology, Shanghai, 200237, China","institution_ids":["https://openalex.org/I143593769"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087541439","display_name":"Shiliang Li","orcid":"https://orcid.org/0000-0001-7922-3730"},"institutions":[{"id":"https://openalex.org/I143593769","display_name":"East China University of Science and Technology","ror":"https://ror.org/01vyrm377","country_code":"CN","type":"education","lineage":["https://openalex.org/I143593769"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shiliang Li","raw_affiliation_strings":["Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China","Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China","institution_ids":["https://openalex.org/I143593769"]},{"raw_affiliation_string":"Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China","institution_ids":["https://openalex.org/I143593769"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047704083","display_name":"Jianfeng Pei","orcid":"https://orcid.org/0000-0002-8482-1185"},"institutions":[{"id":"https://openalex.org/I20231570","display_name":"Peking University","ror":"https://ror.org/02v51f717","country_code":"CN","type":"education","lineage":["https://openalex.org/I20231570"]},{"id":"https://openalex.org/I4210116048","display_name":"Beijing National Laboratory for Molecular Sciences","ror":"https://ror.org/02601yx74","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210116048"]},{"id":"https://openalex.org/I4391768210","display_name":"State Key Laboratory for Structural Chemistry of Unstable and Stable Species","ror":"https://ror.org/03mw4pt79","country_code":null,"type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210155088","https://openalex.org/I4391768210"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jianfeng Pei","raw_affiliation_strings":["BNLMS, Center for Quantitative Biology, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China","BNLMS, Center for Quantitative Biology, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"BNLMS, Center for Quantitative Biology, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China","institution_ids":["https://openalex.org/I4210116048"]},{"raw_affiliation_string":"BNLMS, Center for Quantitative Biology, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China","institution_ids":["https://openalex.org/I4210116048","https://openalex.org/I20231570","https://openalex.org/I4391768210"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100359299","display_name":"Xiaofeng Liu","orcid":"https://orcid.org/0000-0003-0648-4897"},"institutions":[{"id":"https://openalex.org/I143593769","display_name":"East China University of Science and Technology","ror":"https://ror.org/01vyrm377","country_code":"CN","type":"education","lineage":["https://openalex.org/I143593769"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiaofeng Liu","raw_affiliation_strings":["Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China","Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China","institution_ids":["https://openalex.org/I143593769"]},{"raw_affiliation_string":"Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China","institution_ids":["https://openalex.org/I143593769"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001392142","display_name":"Hualiang Jiang","orcid":"https://orcid.org/0000-0003-0656-6315"},"institutions":[{"id":"https://openalex.org/I143593769","display_name":"East China University of Science and Technology","ror":"https://ror.org/01vyrm377","country_code":"CN","type":"education","lineage":["https://openalex.org/I143593769"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hualiang Jiang","raw_affiliation_strings":["Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China","Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China","institution_ids":["https://openalex.org/I143593769"]},{"raw_affiliation_string":"Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China","institution_ids":["https://openalex.org/I143593769"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064049271","display_name":"Luhua Lai","orcid":"https://orcid.org/0000-0002-8343-7587"},"institutions":[{"id":"https://openalex.org/I20231570","display_name":"Peking University","ror":"https://ror.org/02v51f717","country_code":"CN","type":"education","lineage":["https://openalex.org/I20231570"]},{"id":"https://openalex.org/I4210116048","display_name":"Beijing National Laboratory for Molecular Sciences","ror":"https://ror.org/02601yx74","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210116048"]},{"id":"https://openalex.org/I4391768210","display_name":"State Key Laboratory for Structural Chemistry of Unstable and Stable Species","ror":"https://ror.org/03mw4pt79","country_code":null,"type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210155088","https://openalex.org/I4391768210"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Luhua Lai","raw_affiliation_strings":["BNLMS, Center for Quantitative Biology, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China","BNLMS, Center for Quantitative Biology, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"BNLMS, Center for Quantitative Biology, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China","institution_ids":["https://openalex.org/I4210116048"]},{"raw_affiliation_string":"BNLMS, Center for Quantitative Biology, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China","institution_ids":["https://openalex.org/I4210116048","https://openalex.org/I20231570","https://openalex.org/I4391768210"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100688144","display_name":"Honglin Li","orcid":"https://orcid.org/0000-0003-2270-1900"},"institutions":[{"id":"https://openalex.org/I143593769","display_name":"East China University of Science and Technology","ror":"https://ror.org/01vyrm377","country_code":"CN","type":"education","lineage":["https://openalex.org/I143593769"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Honglin Li","raw_affiliation_strings":["Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China ; School of Information Science and Engineering, East China University of Science and Technology, Shanghai 200237, China","School of Information Science and Engineering, East China University of Science and Technology, Shanghai, 200237, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China ; School of Information Science and Engineering, East China University of Science and Technology, Shanghai 200237, China","institution_ids":["https://openalex.org/I143593769"]},{"raw_affiliation_string":"School of Information Science and Engineering, East China University of Science and Technology, Shanghai, 200237, China","institution_ids":["https://openalex.org/I143593769"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":10,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":7.7101,"has_fulltext":true,"cited_by_count":39,"citation_normalized_percentile":{"value":0.97779396,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"6","issue":"1","first_page":"28","last_page":"28"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9801999926567078,"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":0.9801999926567078,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.004600000102072954,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12859","display_name":"Cell Image Analysis Techniques","score":0.0026000000070780516,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/pharmacophore","display_name":"Pharmacophore","score":0.787677526473999},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7849744558334351},{"id":"https://openalex.org/keywords/interface","display_name":"Interface (matter)","score":0.6127849817276001},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.5918616652488708},{"id":"https://openalex.org/keywords/upload","display_name":"Upload","score":0.5669792294502258},{"id":"https://openalex.org/keywords/user-interface","display_name":"User interface","score":0.5073480010032654},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.47019538283348083},{"id":"https://openalex.org/keywords/graphical-user-interface","display_name":"Graphical user interface","score":0.4472799301147461},{"id":"https://openalex.org/keywords/user-friendly","display_name":"User Friendly","score":0.44308921694755554},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.42634981870651245},{"id":"https://openalex.org/keywords/web-application","display_name":"Web application","score":0.41258472204208374},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.37511366605758667},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.3321805000305176},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.19800981879234314},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.10431218147277832}],"concepts":[{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.787677526473999},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7849744558334351},{"id":"https://openalex.org/C113843644","wikidata":"https://www.wikidata.org/wiki/Q901882","display_name":"Interface (matter)","level":4,"score":0.6127849817276001},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.5918616652488708},{"id":"https://openalex.org/C71901391","wikidata":"https://www.wikidata.org/wiki/Q7126699","display_name":"Upload","level":2,"score":0.5669792294502258},{"id":"https://openalex.org/C89505385","wikidata":"https://www.wikidata.org/wiki/Q47146","display_name":"User interface","level":2,"score":0.5073480010032654},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.47019538283348083},{"id":"https://openalex.org/C37789001","wikidata":"https://www.wikidata.org/wiki/Q782543","display_name":"Graphical user interface","level":2,"score":0.4472799301147461},{"id":"https://openalex.org/C61437842","wikidata":"https://www.wikidata.org/wiki/Q281291","display_name":"User Friendly","level":2,"score":0.44308921694755554},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.42634981870651245},{"id":"https://openalex.org/C118643609","wikidata":"https://www.wikidata.org/wiki/Q189210","display_name":"Web application","level":2,"score":0.41258472204208374},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.37511366605758667},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.3321805000305176},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.19800981879234314},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.10431218147277832},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0},{"id":"https://openalex.org/C157915830","wikidata":"https://www.wikidata.org/wiki/Q2928001","display_name":"Bubble","level":2,"score":0.0},{"id":"https://openalex.org/C129307140","wikidata":"https://www.wikidata.org/wiki/Q6795880","display_name":"Maximum bubble pressure method","level":3,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1186/1758-2946-6-28","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-6-28","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-6-28","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:24955134","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24955134","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":"Journal of cheminformatics","raw_type":null},{"id":"pmh:oai:europepmc.org:3037791","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4046018","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-6-28","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-6-28","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-6-28","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.41999998688697815,"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9"}],"awards":[{"id":"https://openalex.org/G3806362303","display_name":"\u836f\u7269\u8bbe\u8ba1\u65b0\u65b9\u6cd5\u53d1\u5c55\u53ca\u5e94\u7528","funder_award_id":"81230076","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5516115169","display_name":null,"funder_award_id":"12401900801","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5761154194","display_name":null,"funder_award_id":"81230090","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G7887992485","display_name":null,"funder_award_id":"81222046","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8465434827","display_name":null,"funder_award_id":"2012AA020308","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8632489437","display_name":null,"funder_award_id":"141035","funder_id":"https://openalex.org/F4320326297","funder_display_name":"Fok Ying Tung Education Foundation"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320326297","display_name":"Fok Ying Tung Education Foundation","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2167776765.pdf","grobid_xml":"https://content.openalex.org/works/W2167776765.grobid-xml"},"referenced_works_count":64,"referenced_works":["https://openalex.org/W66797451","https://openalex.org/W1623301431","https://openalex.org/W1964513093","https://openalex.org/W1968319881","https://openalex.org/W1975551833","https://openalex.org/W1981641775","https://openalex.org/W1984984016","https://openalex.org/W1988968220","https://openalex.org/W1993069162","https://openalex.org/W1995484623","https://openalex.org/W2000917057","https://openalex.org/W2009313526","https://openalex.org/W2014467756","https://openalex.org/W2015272106","https://openalex.org/W2025956185","https://openalex.org/W2026482590","https://openalex.org/W2026647045","https://openalex.org/W2028914605","https://openalex.org/W2037167896","https://openalex.org/W2042126044","https://openalex.org/W2043014029","https://openalex.org/W2050083547","https://openalex.org/W2050273205","https://openalex.org/W2052921326","https://openalex.org/W2055147198","https://openalex.org/W2058991052","https://openalex.org/W2059070336","https://openalex.org/W2059585768","https://openalex.org/W2061457917","https://openalex.org/W2062884696","https://openalex.org/W2064188435","https://openalex.org/W2070880994","https://openalex.org/W2072757166","https://openalex.org/W2073512468","https://openalex.org/W2073746700","https://openalex.org/W2086779432","https://openalex.org/W2087054318","https://openalex.org/W2092198908","https://openalex.org/W2092285329","https://openalex.org/W2096864392","https://openalex.org/W2099001405","https://openalex.org/W2101373870","https://openalex.org/W2102138745","https://openalex.org/W2104916446","https://openalex.org/W2109225217","https://openalex.org/W2111158634","https://openalex.org/W2112937261","https://openalex.org/W2114326383","https://openalex.org/W2130479394","https://openalex.org/W2133447437","https://openalex.org/W2138180968","https://openalex.org/W2142969714","https://openalex.org/W2154896031","https://openalex.org/W2162436128","https://openalex.org/W2169576712","https://openalex.org/W2169678694","https://openalex.org/W2171482501","https://openalex.org/W2172216479","https://openalex.org/W2176516200","https://openalex.org/W2208203352","https://openalex.org/W2211224366","https://openalex.org/W2320206356","https://openalex.org/W2329014669","https://openalex.org/W2396663079"],"related_works":["https://openalex.org/W2000397010","https://openalex.org/W2115078847","https://openalex.org/W2062768126","https://openalex.org/W2061401330","https://openalex.org/W3041915240","https://openalex.org/W2055137136","https://openalex.org/W2080809815","https://openalex.org/W2167386965","https://openalex.org/W1580389218","https://openalex.org/W2073081213"],"abstract_inverted_index":{"BACKGROUND:":[0],"The":[1,81,136],"progress":[2],"in":[3,27,96,132,215],"computer-aided":[4,70],"drug":[5,71,93,127,198],"design":[6,72,199,206],"(CADD)":[7],"approaches":[8],"over":[9],"the":[10,14,150,154,170,179],"past":[11],"decades":[12],"accelerated":[13],"early-stage":[15],"pharmaceutical":[16],"research.":[17],"Many":[18],"powerful":[19],"standalone":[20,222],"tools":[21,140],"for":[22,69,118,126,141,196],"CADD":[23],"have":[24],"been":[25],"developed":[26,32],"academia.":[28],"As":[29],"programs":[30],"are":[31],"by":[33],"various":[34,204],"research":[35],"groups,":[36],"a":[37,62,101,122,190],"consistent":[38],"user-friendly":[39],"online":[40,67],"graphical":[41],"working":[42],"environment,":[43],"combining":[44],"computational":[45],"techniques":[46],"such":[47],"as":[48,134],"pharmacophore":[49,75,124],"mapping,":[50],"similarity":[51,79],"calculation,":[52],"scoring,":[53],"and":[54,65,76,92,121,147,173,188,193,212],"target":[55],"identification":[56,120],"is":[57,184,226],"needed.":[58],"RESULTS:":[59],"We":[60],"presented":[61],"versatile,":[63],"user-friendly,":[64],"efficient":[66],"tool":[68,195],"based":[73],"on":[74],"3D":[77],"molecular":[78,143,205],"searching.":[80],"web":[82,137],"interface":[83,103,138],"enables":[84],"binding":[85],"sites":[86],"detection,":[87],"virtual":[88],"screening":[89],"hits":[90],"identification,":[91],"targets":[94,128],"prediction":[95,129],"an":[97],"interactive":[98],"manner":[99],"through":[100,160],"seamless":[102],"to":[104,169,175,186],"all":[105],"adapted":[106],"packages":[107],"(e.g.,":[108],"Cavity,":[109],"PocketV.2,":[110],"PharmMapper,":[111],"SHAFTS).":[112],"Several":[113],"commercially":[114],"available":[115],"compound":[116],"databases":[117],"hit":[119],"well-annotated":[123],"database":[125],"were":[130],"integrated":[131],"iDrug":[133,183,225],"well.":[135],"provides":[139,189],"real-time":[142],"building/editing,":[144],"converting,":[145],"displaying,":[146],"analyzing.":[148],"All":[149],"customized":[151],"configurations":[152],"of":[153,229],"functional":[155],"modules":[156],"can":[157,166,209],"be":[158,167,210],"accessed":[159],"featured":[161],"session":[162],"files":[163],"provided,":[164],"which":[165],"saved":[168],"local":[171],"disk":[172],"uploaded":[174],"resume":[176],"or":[177],"update":[178],"history":[180],"work.":[181],"CONCLUSIONS:":[182],"easy":[185],"use,":[187],"novel,":[191],"fast":[192],"reliable":[194],"conducting":[197],"experiments.":[200],"By":[201],"using":[202],"iDrug,":[203],"processing":[207],"tasks":[208],"submitted":[211],"visualized":[213],"simply":[214],"one":[216],"browser":[217],"without":[218],"installing":[219],"locally":[220],"any":[221],"modeling":[223],"softwares.":[224],"accessible":[227],"free":[228],"charge":[230],"at":[231],"http://lilab.ecust.edu.cn/idrug.":[232]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":5},{"year":2016,"cited_by_count":5},{"year":2015,"cited_by_count":9},{"year":2014,"cited_by_count":2}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}