{"id":"https://openalex.org/W2100148914","doi":"https://doi.org/10.1021/ci9700889","title":"Maximum Common Substructures of Organic Compounds Exhibiting Similar Infrared Spectra","display_name":"Maximum Common Substructures of Organic Compounds Exhibiting Similar Infrared Spectra","publication_year":1998,"publication_date":"1998-02-19","ids":{"openalex":"https://openalex.org/W2100148914","doi":"https://doi.org/10.1021/ci9700889","mag":"2100148914"},"language":"en","primary_location":{"id":"doi:10.1021/ci9700889","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9700889","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"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 Computer Sciences","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"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/A5022882863","display_name":"\u041a\u0443\u0440\u0442 \u0412\u0430\u0440\u043c\u0443\u0437\u0430","orcid":"https://orcid.org/0000-0002-3534-4001"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"K. Varmuza","raw_affiliation_strings":["Technical University of Vienna, Laboratory for Chemometrics, A-1060 Vienna, Getreidemarkt 9/152, Austria, and University of Plovdiv, Faculty of Chemistry, BG-4000 Plovdiv, Bulgaria"],"affiliations":[{"raw_affiliation_string":"Technical University of Vienna, Laboratory for Chemometrics, A-1060 Vienna, Getreidemarkt 9/152, Austria, and University of Plovdiv, Faculty of Chemistry, BG-4000 Plovdiv, Bulgaria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065286339","display_name":"Plamen Penchev","orcid":"https://orcid.org/0000-0003-4388-5323"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"P. N. Penchev","raw_affiliation_strings":["Technical University of Vienna, Laboratory for Chemometrics, A-1060 Vienna, Getreidemarkt 9/152, Austria, and University of Plovdiv, Faculty of Chemistry, BG-4000 Plovdiv, Bulgaria"],"affiliations":[{"raw_affiliation_string":"Technical University of Vienna, Laboratory for Chemometrics, A-1060 Vienna, Getreidemarkt 9/152, Austria, and University of Plovdiv, Faculty of Chemistry, BG-4000 Plovdiv, Bulgaria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5046464874","display_name":"H. Scsibrany","orcid":null},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"H. Scsibrany","raw_affiliation_strings":["Technical University of Vienna, Laboratory for Chemometrics, A-1060 Vienna, Getreidemarkt 9/152, Austria, and University of Plovdiv, Faculty of Chemistry, BG-4000 Plovdiv, Bulgaria"],"affiliations":[{"raw_affiliation_string":"Technical University of Vienna, Laboratory for Chemometrics, A-1060 Vienna, Getreidemarkt 9/152, Austria, and University of Plovdiv, Faculty of Chemistry, BG-4000 Plovdiv, Bulgaria","institution_ids":["https://openalex.org/I129774422"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5022882863"],"corresponding_institution_ids":["https://openalex.org/I129774422"],"apc_list":null,"apc_paid":null,"fwci":3.8557,"has_fulltext":false,"cited_by_count":44,"citation_normalized_percentile":{"value":0.94791385,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"38","issue":"3","first_page":"420","last_page":"427"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9987999796867371,"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"}},"topics":[{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9987999796867371,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9980000257492065,"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/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.9908999800682068,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical 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/substructure","display_name":"Substructure","score":0.8598335981369019},{"id":"https://openalex.org/keywords/infrared-spectroscopy","display_name":"Infrared spectroscopy","score":0.6373804211616516},{"id":"https://openalex.org/keywords/spectral-line","display_name":"Spectral line","score":0.6284265518188477},{"id":"https://openalex.org/keywords/infrared","display_name":"Infrared","score":0.5392493009567261},{"id":"https://openalex.org/keywords/spectrum","display_name":"Spectrum (functional analysis)","score":0.4551205635070801},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.39085859060287476},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3770345449447632},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.15230929851531982},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.1445012092590332},{"id":"https://openalex.org/keywords/optics","display_name":"Optics","score":0.12266016006469727},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.05298539996147156}],"concepts":[{"id":"https://openalex.org/C99679407","wikidata":"https://www.wikidata.org/wiki/Q56761637","display_name":"Substructure","level":2,"score":0.8598335981369019},{"id":"https://openalex.org/C153642686","wikidata":"https://www.wikidata.org/wiki/Q70906","display_name":"Infrared spectroscopy","level":2,"score":0.6373804211616516},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.6284265518188477},{"id":"https://openalex.org/C158355884","wikidata":"https://www.wikidata.org/wiki/Q11388","display_name":"Infrared","level":2,"score":0.5392493009567261},{"id":"https://openalex.org/C156778621","wikidata":"https://www.wikidata.org/wiki/Q1365748","display_name":"Spectrum (functional analysis)","level":2,"score":0.4551205635070801},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.39085859060287476},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3770345449447632},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.15230929851531982},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1445012092590332},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.12266016006469727},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.05298539996147156},{"id":"https://openalex.org/C66938386","wikidata":"https://www.wikidata.org/wiki/Q633538","display_name":"Structural engineering","level":1,"score":0.0},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ci9700889","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9700889","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"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 Computer Sciences","raw_type":"journal-article"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.545.8389","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.545.8389","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://web.uni-plovdiv.bg/plamenpenchev/art06.pdf","raw_type":"text"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":27,"referenced_works":["https://openalex.org/W31652452","https://openalex.org/W203013385","https://openalex.org/W615338897","https://openalex.org/W1968459892","https://openalex.org/W1971861584","https://openalex.org/W1975295075","https://openalex.org/W1988265548","https://openalex.org/W1991619291","https://openalex.org/W1996199564","https://openalex.org/W2007709395","https://openalex.org/W2015277568","https://openalex.org/W2023272295","https://openalex.org/W2042687473","https://openalex.org/W2044428128","https://openalex.org/W2045140717","https://openalex.org/W2061365508","https://openalex.org/W2062384153","https://openalex.org/W2069358537","https://openalex.org/W2076539885","https://openalex.org/W2077265044","https://openalex.org/W2080730383","https://openalex.org/W2328436798","https://openalex.org/W2480923227","https://openalex.org/W2504808271","https://openalex.org/W2802447854","https://openalex.org/W3004943570","https://openalex.org/W4252660814"],"related_works":["https://openalex.org/W2135375667","https://openalex.org/W4323652357","https://openalex.org/W2008512696","https://openalex.org/W4236933654","https://openalex.org/W2916853706","https://openalex.org/W2490963019","https://openalex.org/W2018674345","https://openalex.org/W2469340274","https://openalex.org/W117824151","https://openalex.org/W1982027788"],"abstract_inverted_index":{"Information":[0],"about":[1],"the":[2,15,19,31,39,56,69],"unknown":[3],"chemical":[4],"structure":[5],"of":[6,21,51,61],"an":[7,48],"organic":[8],"compound":[9],"can":[10,73],"be":[11,74],"obtained":[12],"by":[13],"comparing":[14],"infrared":[16],"spectrum":[17],"with":[18],"spectra":[20],"a":[22],"spectral":[23],"library.":[24],"The":[25],"resulting":[26],"hitlist":[27,57],"contains":[28],"compounds":[29],"exhibiting":[30],"most":[32],"similar":[33],"spectra.":[34],"A":[35,59],"method":[36],"based":[37],"on":[38],"maximum":[40],"common":[41,52],"substructure":[42],"concept":[43],"has":[44],"been":[45],"developed":[46],"for":[47,68],"automatic":[49],"extraction":[50],"structural":[53,77],"features":[54],"from":[55],"structures.":[58],"set":[60],"substructures":[62],"is":[63],"derived":[64],"that":[65],"are":[66],"characteristic":[67],"query":[70],"structure.":[71],"Results":[72],"used":[75],"as":[76],"restrictions":[78],"in":[79],"isomer":[80],"generation.":[81]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}