{"id":"https://openalex.org/W4403916524","doi":"https://doi.org/10.1021/acs.jcim.4c01445","title":"3DSTarPred: A Web Server for Target Prediction of Bioactive Small Molecules Based on 3D Shape Similarity","display_name":"3DSTarPred: A Web Server for Target Prediction of Bioactive Small Molecules Based on 3D Shape Similarity","publication_year":2024,"publication_date":"2024-10-30","ids":{"openalex":"https://openalex.org/W4403916524","doi":"https://doi.org/10.1021/acs.jcim.4c01445","pmid":"https://pubmed.ncbi.nlm.nih.gov/39475556"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c01445","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c01445","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","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/A5112077953","display_name":"Caiqin Yan","orcid":null},"institutions":[{"id":"https://openalex.org/I200296433","display_name":"Chinese Academy of Medical Sciences & Peking Union Medical College","ror":"https://ror.org/02drdmm93","country_code":"CN","type":"education","lineage":["https://openalex.org/I200296433"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Caiqin Yan","raw_affiliation_strings":["Beijing Key Lab of Drug Target Identification and Drug Screening, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China","State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China"],"raw_orcid":"https://orcid.org/0009-0009-6807-0850","affiliations":[{"raw_affiliation_string":"Beijing Key Lab of Drug Target Identification and Drug Screening, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China","institution_ids":["https://openalex.org/I200296433"]},{"raw_affiliation_string":"State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China","institution_ids":["https://openalex.org/I200296433"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100328496","display_name":"Zhihong Liu","orcid":"https://orcid.org/0000-0001-8370-2419"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Zhihong Liu","raw_affiliation_strings":["Department of Data Science, Wecomput Technology Co., Ltd. (Guangzhou), Guangzhou 510535, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Data Science, Wecomput Technology Co., Ltd. (Guangzhou), Guangzhou 510535, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100552334","display_name":"Yiming Bai","orcid":"https://orcid.org/0000-0002-1340-6857"},"institutions":[{"id":"https://openalex.org/I200296433","display_name":"Chinese Academy of Medical Sciences & Peking Union Medical College","ror":"https://ror.org/02drdmm93","country_code":"CN","type":"education","lineage":["https://openalex.org/I200296433"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yiming Bai","raw_affiliation_strings":["Beijing Key Lab of Drug Target Identification and Drug Screening, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China","State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Beijing Key Lab of Drug Target Identification and Drug Screening, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China","institution_ids":["https://openalex.org/I200296433"]},{"raw_affiliation_string":"State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China","institution_ids":["https://openalex.org/I200296433"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068101856","display_name":"Zhe Wang","orcid":"https://orcid.org/0000-0001-7084-7678"},"institutions":[{"id":"https://openalex.org/I200296433","display_name":"Chinese Academy of Medical Sciences & Peking Union Medical College","ror":"https://ror.org/02drdmm93","country_code":"CN","type":"education","lineage":["https://openalex.org/I200296433"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhe Wang","raw_affiliation_strings":["Beijing Key Lab of Drug Target Identification and Drug Screening, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China","State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Beijing Key Lab of Drug Target Identification and Drug Screening, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China","institution_ids":["https://openalex.org/I200296433"]},{"raw_affiliation_string":"State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China","institution_ids":["https://openalex.org/I200296433"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029470846","display_name":"Jiansong Fang","orcid":"https://orcid.org/0000-0002-6998-5384"},"institutions":[{"id":"https://openalex.org/I117532281","display_name":"Guangzhou University of Chinese Medicine","ror":"https://ror.org/03qb7bg95","country_code":"CN","type":"education","lineage":["https://openalex.org/I117532281"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jiansong Fang","raw_affiliation_strings":["Science and Technology Innovation Center, Guangzhou University of Chinese Medicine, Guangzhou 510405, China"],"raw_orcid":"https://orcid.org/0000-0002-6998-5384","affiliations":[{"raw_affiliation_string":"Science and Technology Innovation Center, Guangzhou University of Chinese Medicine, Guangzhou 510405, China","institution_ids":["https://openalex.org/I117532281"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5101429401","display_name":"Ailin Liu","orcid":"https://orcid.org/0000-0002-1989-103X"},"institutions":[{"id":"https://openalex.org/I200296433","display_name":"Chinese Academy of Medical Sciences & Peking Union Medical College","ror":"https://ror.org/02drdmm93","country_code":"CN","type":"education","lineage":["https://openalex.org/I200296433"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Ailin Liu","raw_affiliation_strings":["Beijing Key Lab of Drug Target Identification and Drug Screening, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China","State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Beijing Key Lab of Drug Target Identification and Drug Screening, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China","institution_ids":["https://openalex.org/I200296433"]},{"raw_affiliation_string":"State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China","institution_ids":["https://openalex.org/I200296433"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5029470846","https://openalex.org/A5101429401"],"corresponding_institution_ids":["https://openalex.org/I117532281","https://openalex.org/I200296433"],"apc_list":null,"apc_paid":null,"fwci":1.2966,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.82273715,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":99},"biblio":{"volume":"64","issue":"21","first_page":"8105","last_page":"8112"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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":0.9998999834060669,"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/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.958299994468689,"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/T10274","display_name":"Synthesis and biological activity","score":0.9459999799728394,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.7260088324546814},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5289815664291382},{"id":"https://openalex.org/keywords/web-server","display_name":"Web server","score":0.44920551776885986},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.32200193405151367},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.3114164471626282},{"id":"https://openalex.org/keywords/the-internet","display_name":"The Internet","score":0.23374325037002563},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.21535074710845947}],"concepts":[{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.7260088324546814},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5289815664291382},{"id":"https://openalex.org/C11392498","wikidata":"https://www.wikidata.org/wiki/Q11288","display_name":"Web server","level":3,"score":0.44920551776885986},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.32200193405151367},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.3114164471626282},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.23374325037002563},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.21535074710845947},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000067558","descriptor_name":"Biological Mimicry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000067558","descriptor_name":"Biological Mimicry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000067558","descriptor_name":"Biological Mimicry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000067558","descriptor_name":"Biological Mimicry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000068677","descriptor_name":"Sildenafil Citrate","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D000068677","descriptor_name":"Sildenafil Citrate","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D000068677","descriptor_name":"Sildenafil Citrate","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D000068677","descriptor_name":"Sildenafil Citrate","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D000544","descriptor_name":"Alzheimer Disease","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D000544","descriptor_name":"Alzheimer Disease","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D000544","descriptor_name":"Alzheimer Disease","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D000544","descriptor_name":"Alzheimer Disease","qualifier_ui":"Q000188","qualifier_name":"drug therapy","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":"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":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D044949","descriptor_name":"Kaempferols","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D044949","descriptor_name":"Kaempferols","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D044949","descriptor_name":"Kaempferols","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D044949","descriptor_name":"Kaempferols","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D058986","descriptor_name":"Phosphodiesterase 5 Inhibitors","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D058986","descriptor_name":"Phosphodiesterase 5 Inhibitors","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D058986","descriptor_name":"Phosphodiesterase 5 Inhibitors","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D058986","descriptor_name":"Phosphodiesterase 5 Inhibitors","qualifier_ui":"Q000627","qualifier_name":"therapeutic use","is_major_topic":false},{"descriptor_ui":"D062126","descriptor_name":"Databases, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062126","descriptor_name":"Databases, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062126","descriptor_name":"Databases, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062126","descriptor_name":"Databases, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D064878","descriptor_name":"Web Browser","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064878","descriptor_name":"Web Browser","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064878","descriptor_name":"Web Browser","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064878","descriptor_name":"Web Browser","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.4c01445","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c01445","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:39475556","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39475556","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 chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2580336477","display_name":null,"funder_award_id":"2023YFF1204901","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"id":"https://openalex.org/G6194513523","display_name":null,"funder_award_id":"2023YFF1204900","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"id":"https://openalex.org/G6227082664","display_name":null,"funder_award_id":"2021-I2M-1-057","funder_id":"https://openalex.org/F4320323137","funder_display_name":"Chinese Academy of Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320321540","display_name":"Ministry of Science and Technology of the People's Republic of China","ror":"https://ror.org/027s68j25"},{"id":"https://openalex.org/F4320323137","display_name":"Chinese Academy of Medical Sciences","ror":"https://ror.org/03cve4549"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":51,"referenced_works":["https://openalex.org/W1080222946","https://openalex.org/W1688073391","https://openalex.org/W1972076069","https://openalex.org/W1990186655","https://openalex.org/W1996722392","https://openalex.org/W2029124536","https://openalex.org/W2029757179","https://openalex.org/W2041183431","https://openalex.org/W2045055448","https://openalex.org/W2054124149","https://openalex.org/W2066080492","https://openalex.org/W2070880994","https://openalex.org/W2087643448","https://openalex.org/W2094400680","https://openalex.org/W2102715783","https://openalex.org/W2112411768","https://openalex.org/W2116096636","https://openalex.org/W2124627119","https://openalex.org/W2125792789","https://openalex.org/W2137267229","https://openalex.org/W2162011385","https://openalex.org/W2320034101","https://openalex.org/W2362265365","https://openalex.org/W2590907701","https://openalex.org/W2609070191","https://openalex.org/W2729684734","https://openalex.org/W2769433312","https://openalex.org/W2888318695","https://openalex.org/W2912617492","https://openalex.org/W2946412700","https://openalex.org/W2951512731","https://openalex.org/W3016526736","https://openalex.org/W3020074897","https://openalex.org/W3025387973","https://openalex.org/W3043872269","https://openalex.org/W3128189585","https://openalex.org/W3148382321","https://openalex.org/W3206117337","https://openalex.org/W3211497703","https://openalex.org/W4200080541","https://openalex.org/W4205241347","https://openalex.org/W4224939781","https://openalex.org/W4281257727","https://openalex.org/W4303476452","https://openalex.org/W4308005357","https://openalex.org/W4317702955","https://openalex.org/W4324143928","https://openalex.org/W4324316399","https://openalex.org/W4327744063","https://openalex.org/W4384831976","https://openalex.org/W4390233792"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2899084033","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W4391375266","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W1976181487"],"abstract_inverted_index":{"approach":[0],"has":[1],"been":[2],"developed":[3],"and":[4,11,31,132,151],"widely":[5],"applied":[6],"to":[7,109],"assist":[8],"medicinal":[9],"chemists":[10],"pharmacologists":[12],"in":[13,33,84,142,155],"drug":[14,140],"target":[15,20,48,61,74,86,99],"identification.":[16],"There":[17],"are":[18],"many":[19],"prediction":[21,49,62,75,87,100],"web":[22,41,76,101],"servers":[23],"available":[24,162],"today":[25],"that":[26,57,71,95],"have":[27],"revealed":[28],"both":[29],"advantages":[30],"shortcomings":[32],"practical":[34],"applications.":[35],"Here,":[36],"we":[37],"present":[38],"3DSTarPred,":[39],"a":[40,60,121,137],"server":[42,159],"for":[43,125,139],"three-dimensional":[44],"(3D)":[45],"shape":[46],"similarity-based":[47],"of":[50,65,72,82,88,96,114,128,153],"small":[51,116],"molecules.":[52],"A":[53],"benchmark":[54],"study":[55],"showed":[56],"3DSTarPred":[58,83,106,154,158],"achieved":[59],"success":[63,152],"rate":[64],"76.27%,":[66],"which":[67],"was":[68,91,107],"higher":[69],"than":[70,94],"existing":[73,98],"servers.":[77,102],"In":[78,103],"addition,":[79],"the":[80,85,97,111,126,133,149],"performance":[81],"diverse":[89],"substructures/superstructures":[90],"also":[92],"better":[93],"case":[104,145],"studies,":[105],"used":[108],"identify":[110],"potential":[112],"targets":[113],"two":[115],"molecules,":[117],"one":[118],"being":[119,135],"kaempferol,":[120],"natural":[122],"lead":[123],"compound":[124],"treatment":[127],"Alzheimer's":[129],"disease":[130],"(AD),":[131],"other":[134],"sildenafil,":[136],"candidate":[138],"repurposing":[141],"AD.":[143],"The":[144,157],"studies":[146],"further":[147],"demonstrated":[148],"reliability":[150],"practice.":[156],"is":[160],"freely":[161],"at":[163],"http://3dstarpred.pumc.wecomput.com.":[164]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":1}],"updated_date":"2026-07-17T09:13:05.818461","created_date":"2025-10-10T00:00:00"}