{"id":"https://openalex.org/W2922076381","doi":"https://doi.org/10.1093/bib/bbz024","title":"Evaluation of drug efficacy based on the spatial position comparison of drug\u2013target interaction centers","display_name":"Evaluation of drug efficacy based on the spatial position comparison of drug\u2013target interaction centers","publication_year":2019,"publication_date":"2019-02-18","ids":{"openalex":"https://openalex.org/W2922076381","doi":"https://doi.org/10.1093/bib/bbz024","mag":"2922076381","pmid":"https://pubmed.ncbi.nlm.nih.gov/30868167"},"language":"en","primary_location":{"id":"doi:10.1093/bib/bbz024","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bib/bbz024","pdf_url":null,"source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101625181","display_name":"Yu Ding","orcid":"https://orcid.org/0000-0002-5014-0381"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yu Ding","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058731393","display_name":"Hong Wang","orcid":"https://orcid.org/0000-0001-6649-649X"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Hong Wang","raw_affiliation_strings":["College of Bioinformatics Science and Technology, Harbin Medical University, Harbin, P. R. China"],"affiliations":[{"raw_affiliation_string":"College of Bioinformatics Science and Technology, Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055535195","display_name":"Hewei Zheng","orcid":null},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hewei Zheng","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037204529","display_name":"Lianzong Wang","orcid":null},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lianzong Wang","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004403062","display_name":"Guosi Zhang","orcid":null},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Guosi Zhang","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100686585","display_name":"Jiaxin Yang","orcid":"https://orcid.org/0000-0001-6456-6239"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jiaxin Yang","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100682886","display_name":"Xiaoyan Lu","orcid":"https://orcid.org/0000-0003-2534-8575"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiaoyan Lu","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074576528","display_name":"Yu Bai","orcid":"https://orcid.org/0000-0002-8237-9514"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yu Bai","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100392956","display_name":"Haotian Zhang","orcid":"https://orcid.org/0000-0003-2126-3048"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Haotian Zhang","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100337132","display_name":"Jing Li","orcid":"https://orcid.org/0000-0003-4602-3227"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jing Li","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101895781","display_name":"Wenyan Gao","orcid":"https://orcid.org/0000-0003-2019-268X"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wenyan Gao","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071632243","display_name":"Fukun Chen","orcid":"https://orcid.org/0000-0001-6943-6353"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Fukun Chen","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035147023","display_name":"Shui Hu","orcid":"https://orcid.org/0000-0001-6625-0115"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shui Hu","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110966342","display_name":"Jingqi Wu","orcid":null},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jingqi Wu","raw_affiliation_strings":["Harbin Medical University, Harbin, P. R. China","Wenzhou Medical University, Wenzhou"],"affiliations":[{"raw_affiliation_string":"Harbin Medical University, Harbin, P. R. China","institution_ids":["https://openalex.org/I156144747"]},{"raw_affiliation_string":"Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I27781120"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5034047362","display_name":"Liangde Xu","orcid":"https://orcid.org/0000-0003-0965-9955"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]},{"id":"https://openalex.org/I27781120","display_name":"Wenzhou Medical University","ror":"https://ror.org/00rd5t069","country_code":"CN","type":"education","lineage":["https://openalex.org/I27781120"]},{"id":"https://openalex.org/I4210086973","display_name":"Affiliated Eye Hospital of Wenzhou Medical College","ror":"https://ror.org/000sxmx78","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210086973"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Liangde Xu","raw_affiliation_strings":["School of Ophthalmology & Optometry and Eye Hospital, School of Biomedical Engineering, Wenzhou Medical University, Wenzhou","Training Center for Students Innovation and Entrepreneurship Education, Harbin Medical University, Harbin"],"affiliations":[{"raw_affiliation_string":"School of Ophthalmology & Optometry and Eye Hospital, School of Biomedical Engineering, Wenzhou Medical University, Wenzhou","institution_ids":["https://openalex.org/I4210086973","https://openalex.org/I27781120"]},{"raw_affiliation_string":"Training Center for Students Innovation and Entrepreneurship Education, Harbin Medical University, Harbin","institution_ids":["https://openalex.org/I156144747"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":15,"corresponding_author_ids":["https://openalex.org/A5034047362","https://openalex.org/A5058731393"],"corresponding_institution_ids":["https://openalex.org/I156144747","https://openalex.org/I27781120","https://openalex.org/I4210086973"],"apc_list":{"value":4011,"currency":"USD","value_usd":4011},"apc_paid":null,"fwci":0.3992,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.62588778,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"21","issue":"3","first_page":"762","last_page":"776"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"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":1.0,"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/T10274","display_name":"Synthesis and biological activity","score":0.994700014591217,"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/T11845","display_name":"Cancer therapeutics and mechanisms","score":0.9932000041007996,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.6878089904785156},{"id":"https://openalex.org/keywords/drug-drug-interaction","display_name":"Drug-drug interaction","score":0.6008399128913879},{"id":"https://openalex.org/keywords/drug-interaction","display_name":"Drug interaction","score":0.5428521633148193},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.530937910079956},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5104972124099731},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4909358322620392},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.45889711380004883},{"id":"https://openalex.org/keywords/drug-target","display_name":"Drug target","score":0.4248344302177429},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.3091210722923279},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.23984366655349731},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.23066207766532898},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.17811936140060425}],"concepts":[{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.6878089904785156},{"id":"https://openalex.org/C2910466267","wikidata":"https://www.wikidata.org/wiki/Q718753","display_name":"Drug-drug interaction","level":3,"score":0.6008399128913879},{"id":"https://openalex.org/C97320921","wikidata":"https://www.wikidata.org/wiki/Q718753","display_name":"Drug interaction","level":3,"score":0.5428521633148193},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.530937910079956},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5104972124099731},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4909358322620392},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.45889711380004883},{"id":"https://openalex.org/C2989108626","wikidata":"https://www.wikidata.org/wiki/Q904407","display_name":"Drug target","level":2,"score":0.4248344302177429},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3091210722923279},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.23984366655349731},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.23066207766532898},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.17811936140060425},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004347","descriptor_name":"Drug Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004347","descriptor_name":"Drug Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004347","descriptor_name":"Drug Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016503","descriptor_name":"Drug Delivery Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016503","descriptor_name":"Drug Delivery Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016503","descriptor_name":"Drug Delivery Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D058492","descriptor_name":"Drug Repositioning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1093/bib/bbz024","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bib/bbz024","pdf_url":null,"source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},{"id":"pmid:30868167","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30868167","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":"Briefings in bioinformatics","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.7300000190734863,"display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G1302754586","display_name":null,"funder_award_id":"31801098","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5109417356","display_name":null,"funder_award_id":"RC2013QN004112","funder_id":"https://openalex.org/F4320326687","funder_display_name":"Harbin Science and Technology Bureau"},{"id":"https://openalex.org/G5717381257","display_name":null,"funder_award_id":"31501062","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6940342921","display_name":null,"funder_award_id":"YJGG20181001","funder_id":"https://openalex.org/F4320313705","funder_display_name":"Eye Hospital Wenzhou Medical University"}],"funders":[{"id":"https://openalex.org/F4320313705","display_name":"Eye Hospital Wenzhou Medical University","ror":null},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320326687","display_name":"Harbin Science and Technology Bureau","ror":"https://ror.org/03qdcb993"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":85,"referenced_works":["https://openalex.org/W1558802090","https://openalex.org/W1561870857","https://openalex.org/W1864926098","https://openalex.org/W1883316518","https://openalex.org/W1942136308","https://openalex.org/W1968140197","https://openalex.org/W1968682237","https://openalex.org/W1983157900","https://openalex.org/W1995820315","https://openalex.org/W1998898494","https://openalex.org/W2000775413","https://openalex.org/W2009358092","https://openalex.org/W2016002027","https://openalex.org/W2018518196","https://openalex.org/W2023004460","https://openalex.org/W2029152175","https://openalex.org/W2040618598","https://openalex.org/W2043694845","https://openalex.org/W2053174787","https://openalex.org/W2057350662","https://openalex.org/W2062133534","https://openalex.org/W2062406852","https://openalex.org/W2066447255","https://openalex.org/W2068351024","https://openalex.org/W2071083537","https://openalex.org/W2084542755","https://openalex.org/W2087287949","https://openalex.org/W2088632292","https://openalex.org/W2106369210","https://openalex.org/W2109791697","https://openalex.org/W2110062655","https://openalex.org/W2112411768","https://openalex.org/W2119097398","https://openalex.org/W2125490329","https://openalex.org/W2129094690","https://openalex.org/W2134131507","https://openalex.org/W2134967712","https://openalex.org/W2138512826","https://openalex.org/W2146315158","https://openalex.org/W2152630148","https://openalex.org/W2167514745","https://openalex.org/W2171653734","https://openalex.org/W2206740991","https://openalex.org/W2208054810","https://openalex.org/W2209908070","https://openalex.org/W2247265389","https://openalex.org/W2256119113","https://openalex.org/W2259538443","https://openalex.org/W2263739890","https://openalex.org/W2273566413","https://openalex.org/W2318276819","https://openalex.org/W2320186989","https://openalex.org/W2336207313","https://openalex.org/W2404198551","https://openalex.org/W2439991713","https://openalex.org/W2473876819","https://openalex.org/W2558217333","https://openalex.org/W2591564563","https://openalex.org/W2609070191","https://openalex.org/W2611934952","https://openalex.org/W2621245109","https://openalex.org/W2751900761","https://openalex.org/W2753953057","https://openalex.org/W2761346730","https://openalex.org/W2763145619","https://openalex.org/W2770983033","https://openalex.org/W2782565892","https://openalex.org/W2786578820","https://openalex.org/W2792533056","https://openalex.org/W2793951981","https://openalex.org/W2799620190","https://openalex.org/W2809893308","https://openalex.org/W2811451736","https://openalex.org/W2886544065","https://openalex.org/W2887016211","https://openalex.org/W2887034469","https://openalex.org/W2891837572","https://openalex.org/W2892573831","https://openalex.org/W2893531376","https://openalex.org/W2896829849","https://openalex.org/W2899288360","https://openalex.org/W6737388965","https://openalex.org/W6750020592","https://openalex.org/W6751269055","https://openalex.org/W6753706923"],"related_works":["https://openalex.org/W4308805210","https://openalex.org/W2144815258","https://openalex.org/W3082755771","https://openalex.org/W2782683161","https://openalex.org/W4240902522","https://openalex.org/W1480660337","https://openalex.org/W2304968883","https://openalex.org/W2553548503","https://openalex.org/W1967404732","https://openalex.org/W3090408030"],"abstract_inverted_index":{"The":[0,219],"spatial":[1,57,120,226],"position":[2,121,227],"and":[3,7,21,29,36,63,66,110,150,184,196,216,235],"interaction":[4,58,74,109,113,125,158,224,233],"of":[5,42,60,88,122,137,146,173,191,221,240],"drugs":[6,62,149,154,183],"their":[8,64],"targets":[9,33,65],"is":[10,202],"the":[11,39,43,56,61,68,73,89,99,104,119,123,135,142,147,153,171,174,179,189,192,212,222,231,238,244],"most":[12],"important":[13],"characteristics":[14],"for":[15,34,103,133,206],"understanding":[16],"a":[17,51,79,84,130,203],"drug's":[18],"pharmacological":[19],"effect,":[20],"it":[22],"could":[23,236],"help":[24],"both":[25],"in":[26,37,166,170],"finding":[27],"new":[28,44,208,241],"more":[30],"precise":[31],"treatment":[32],"diseases":[35],"exploring":[38],"targeting":[40],"effects":[41],"drugs.":[45,247],"In":[46],"this":[47],"work,":[48],"we":[49,77,94,128],"develop":[50,129],"computational":[52],"pipeline":[53],"to":[54,82,162],"confirm":[55],"relationship":[59],"compare":[67],"drugs'":[69],"efficacies":[70,165,242],"based":[71],"on":[72],"centers.":[75],"First,":[76],"produce":[78],"100-sample":[80],"set":[81,95],"reconstruct":[83],"stable":[85],"docking":[86,215],"model":[87],"confirmed":[90],"drug-target":[91,139,144,223,232],"pairs.":[92,140],"Second,":[93],"5.5":[96],"\u00c5":[97],"as":[98],"maximum":[100],"distance":[101],"threshold":[102],"drug-amino":[105],"acid":[106],"residue":[107],"atom":[108],"construct":[111],"3-dimensional":[112,124],"surface":[114,126],"models.":[115],"Third,":[116],"by":[117],"calculating":[118],"center,":[127],"comparison":[131,220],"strategy":[132],"estimating":[134],"efficacy":[136],"different":[138],"For":[141],"1199":[143],"interactions":[145],"649":[148],"355":[151],"targets,":[152],"that":[155,200],"have":[156,163],"similar":[157,164],"center":[159,225],"positions":[160],"tend":[161],"disease":[167],"treatment,":[168],"especially":[169],"analysis":[172,190],"37":[175],"targeted":[176],"relationships":[177],"between":[178],"15":[180],"known":[181,245],"anti-cancer":[182,194,246],"10":[185],"target":[186,197],"molecules.":[187],"Furthermore,":[188],"unpaired":[193],"drug":[195,209],"molecules":[198],"suggests":[199],"there":[201],"potential":[204],"application":[205],"discovering":[207],"actions":[210],"using":[211],"sampling":[213],"molecular":[214],"analyzing":[217],"method.":[218],"method":[228],"better":[229],"reflect":[230],"situations":[234],"support":[237],"discovery":[239],"among":[243]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":1}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}