{"id":"https://openalex.org/W3134012806","doi":"https://doi.org/10.1021/acs.jcim.0c01419","title":"ZINC Express: A Virtual Assistant for Purchasing Compounds Annotated in the ZINC Database","display_name":"ZINC Express: A Virtual Assistant for Purchasing Compounds Annotated in the ZINC Database","publication_year":2021,"publication_date":"2021-03-05","ids":{"openalex":"https://openalex.org/W3134012806","doi":"https://doi.org/10.1021/acs.jcim.0c01419","mag":"3134012806","pmid":"https://pubmed.ncbi.nlm.nih.gov/33667090"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.0c01419","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c01419","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/A5080235871","display_name":"Tesia Bobrowski","orcid":"https://orcid.org/0000-0002-6177-374X"},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Tesia M. Bobrowski","raw_affiliation_strings":["UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States","institution_ids":["https://openalex.org/I114027177"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001438691","display_name":"Daniel Korn","orcid":"https://orcid.org/0000-0002-1780-9872"},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Daniel R. Korn","raw_affiliation_strings":["UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States","institution_ids":["https://openalex.org/I114027177"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029916489","display_name":"Eugene Muratov","orcid":"https://orcid.org/0000-0003-4616-7036"},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Eugene N. Muratov","raw_affiliation_strings":["UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States"],"raw_orcid":"https://orcid.org/0000-0003-4616-7036","affiliations":[{"raw_affiliation_string":"UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States","institution_ids":["https://openalex.org/I114027177"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078536199","display_name":"Alexander Tropsha","orcid":"https://orcid.org/0000-0003-3802-8896"},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Alexander Tropsha","raw_affiliation_strings":["UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States"],"raw_orcid":"https://orcid.org/0000-0003-3802-8896","affiliations":[{"raw_affiliation_string":"UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States","institution_ids":["https://openalex.org/I114027177"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5029916489","https://openalex.org/A5078536199"],"corresponding_institution_ids":["https://openalex.org/I114027177"],"apc_list":null,"apc_paid":null,"fwci":1.3029,"has_fulltext":false,"cited_by_count":10,"citation_normalized_percentile":{"value":0.8262272,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":97},"biblio":{"volume":"61","issue":"3","first_page":"1033","last_page":"1036"},"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9966999888420105,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/T10375","display_name":"Pharmacogenetics and Drug Metabolism","score":0.996399998664856,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/vendor","display_name":"Vendor","score":0.9300387501716614},{"id":"https://openalex.org/keywords/zinc","display_name":"Zinc","score":0.7242628931999207},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6478824019432068},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.6224436163902283},{"id":"https://openalex.org/keywords/purchasing","display_name":"Purchasing","score":0.5961877107620239},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.5712147355079651},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.38668158650398254},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.1756141185760498},{"id":"https://openalex.org/keywords/business","display_name":"Business","score":0.17450007796287537},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.15966293215751648},{"id":"https://openalex.org/keywords/marketing","display_name":"Marketing","score":0.11625832319259644}],"concepts":[{"id":"https://openalex.org/C2777338717","wikidata":"https://www.wikidata.org/wiki/Q1762621","display_name":"Vendor","level":2,"score":0.9300387501716614},{"id":"https://openalex.org/C535196362","wikidata":"https://www.wikidata.org/wiki/Q758","display_name":"Zinc","level":2,"score":0.7242628931999207},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6478824019432068},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.6224436163902283},{"id":"https://openalex.org/C2778813691","wikidata":"https://www.wikidata.org/wiki/Q1369832","display_name":"Purchasing","level":2,"score":0.5961877107620239},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.5712147355079651},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.38668158650398254},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.1756141185760498},{"id":"https://openalex.org/C144133560","wikidata":"https://www.wikidata.org/wiki/Q4830453","display_name":"Business","level":0,"score":0.17450007796287537},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.15966293215751648},{"id":"https://openalex.org/C162853370","wikidata":"https://www.wikidata.org/wiki/Q39809","display_name":"Marketing","level":1,"score":0.11625832319259644},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D003132","descriptor_name":"Commerce","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003132","descriptor_name":"Commerce","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003132","descriptor_name":"Commerce","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015032","descriptor_name":"Zinc","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015032","descriptor_name":"Zinc","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015032","descriptor_name":"Zinc","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.0c01419","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c01419","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:33667090","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33667090","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":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.4300000071525574}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":2,"referenced_works":["https://openalex.org/W1757990252","https://openalex.org/W2177317049"],"related_works":["https://openalex.org/W2067936761","https://openalex.org/W2417131764","https://openalex.org/W2478661203","https://openalex.org/W2004830053","https://openalex.org/W2070652985","https://openalex.org/W2085980434","https://openalex.org/W3008115697","https://openalex.org/W2349167760","https://openalex.org/W2007094274","https://openalex.org/W2072035168"],"abstract_inverted_index":{"Many":[0],"laboratories":[1],"working":[2],"in":[3,75],"the":[4,10,23,36,44,52,69,76,103,107,113],"field":[5],"of":[6,72,92,109,131],"drug":[7],"discovery":[8],"use":[9,132],"ZINC":[11,62,77,85,87,127,139],"database":[12],"to":[13,121,133],"identify":[14],"and":[15,33,49,97,112,136],"then":[16],"acquire":[17],"commercially":[18],"available":[19,104],"chemicals.":[20],"However,":[21],"finding":[22],"best":[24],"deal":[25],"for":[26,40,98],"a":[27,64,83,90,119],"given":[28],"compound":[29,81,96],"is":[30,141],"often":[31],"time-intensive":[32],"laborious,":[34],"as":[35],"process":[37],"involves":[38],"searching":[39],"all":[41],"vendors":[42,93],"selling":[43],"desired":[45],"compound,":[46],"comparing":[47],"prices,":[48],"interacting":[50],"with":[51,82,118],"preferred":[53],"vendor.":[54,123],"To":[55],"streamline":[56],"this":[57],"process,":[58],"we":[59],"have":[60],"developed":[61],"Express,":[63],"web":[65],"application":[66],"that":[67,95,122,126],"simplifies":[68],"online":[70,144],"purchase":[71],"chemicals":[73],"annotated":[74],"database.":[78],"For":[79],"any":[80],"known":[84],"ID,":[86],"Express":[88,128,140],"finds":[89],"list":[91],"offering":[94],"each":[99,110],"such":[100],"vendor":[101],"returns":[102],"package":[105],"quantities,":[106],"price":[108,114],"package,":[111],"per":[115],"milligram":[116],"along":[117],"link":[120],"We":[124],"expect":[125],"will":[129],"be":[130],"both":[134],"computational":[135],"experimental":[137],"researchers.":[138],"freely":[142],"accessible":[143],"at":[145],"https://zincexpress.mml.unc.edu/.":[146]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":3}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
