{"id":"https://openalex.org/W2043356358","doi":"https://doi.org/10.1016/0097-8485(94)80026-x","title":"Computer-aided determination of microfragmentary composition of organic molecule by mass-, 1H- and 13C-NMR spectra","display_name":"Computer-aided determination of microfragmentary composition of organic molecule by mass-, 1H- and 13C-NMR spectra","publication_year":1994,"publication_date":"1994-03-01","ids":{"openalex":"https://openalex.org/W2043356358","doi":"https://doi.org/10.1016/0097-8485(94)80026-x","mag":"2043356358"},"language":"en","primary_location":{"id":"doi:10.1016/0097-8485(94)80026-x","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(94)80026-x","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & Chemistry","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/A5055799617","display_name":"B. G. Derendyaev","orcid":null},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"funder","lineage":["https://openalex.org/I1313323035"]}],"countries":["RU"],"is_corresponding":true,"raw_author_name":"B.G. Derendyaev","raw_affiliation_strings":["Institute of Organic Chemistry, Siberian Branch of Russian Academy of Sciences, Novosibirsk, Russia"],"affiliations":[{"raw_affiliation_string":"Institute of Organic Chemistry, Siberian Branch of Russian Academy of Sciences, Novosibirsk, Russia","institution_ids":["https://openalex.org/I1313323035"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111384352","display_name":"Konstantin S. Lebedev","orcid":null},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"funder","lineage":["https://openalex.org/I1313323035"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"K.S. Lebedev","raw_affiliation_strings":["Institute of Organic Chemistry, Siberian Branch of Russian Academy of Sciences, Novosibirsk, Russia"],"affiliations":[{"raw_affiliation_string":"Institute of Organic Chemistry, Siberian Branch of Russian Academy of Sciences, Novosibirsk, Russia","institution_ids":["https://openalex.org/I1313323035"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014108662","display_name":"S.A. Nekhorshev","orcid":null},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"funder","lineage":["https://openalex.org/I1313323035"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"S.A. Nekhorshev","raw_affiliation_strings":["Institute of Organic Chemistry, Siberian Branch of Russian Academy of Sciences, Novosibirsk, Russia"],"affiliations":[{"raw_affiliation_string":"Institute of Organic Chemistry, Siberian Branch of Russian Academy of Sciences, Novosibirsk, Russia","institution_ids":["https://openalex.org/I1313323035"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5053453022","display_name":"S. P. KIRSHANSKY","orcid":null},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"funder","lineage":["https://openalex.org/I1313323035"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"S.P. Kirshansky","raw_affiliation_strings":["Institute of Organic Chemistry, Siberian Branch of Russian Academy of Sciences, Novosibirsk, Russia"],"affiliations":[{"raw_affiliation_string":"Institute of Organic Chemistry, Siberian Branch of Russian Academy of Sciences, Novosibirsk, Russia","institution_ids":["https://openalex.org/I1313323035"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5055799617"],"corresponding_institution_ids":["https://openalex.org/I1313323035"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.1237162,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"18","issue":"1","first_page":"81","last_page":"88"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9952999949455261,"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":0.9952999949455261,"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":0.9836999773979187,"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/T13128","display_name":"Chromatography in Natural Products","score":0.9674999713897705,"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/mass-spectrum","display_name":"Mass spectrum","score":0.7309473752975464},{"id":"https://openalex.org/keywords/composition","display_name":"Composition (language)","score":0.5992447137832642},{"id":"https://openalex.org/keywords/carbon-13-nmr","display_name":"Carbon-13 NMR","score":0.5915884375572205},{"id":"https://openalex.org/keywords/spectral-line","display_name":"Spectral line","score":0.5480364561080933},{"id":"https://openalex.org/keywords/nmr-spectra-database","display_name":"NMR spectra database","score":0.5296732187271118},{"id":"https://openalex.org/keywords/organic-molecules","display_name":"Organic molecules","score":0.4301875829696655},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.3958699703216553},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3779289126396179},{"id":"https://openalex.org/keywords/analytical-chemistry","display_name":"Analytical Chemistry (journal)","score":0.34789639711380005},{"id":"https://openalex.org/keywords/mass-spectrometry","display_name":"Mass spectrometry","score":0.33778077363967896},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.2618192732334137},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.2190835177898407},{"id":"https://openalex.org/keywords/chromatography","display_name":"Chromatography","score":0.13550454378128052},{"id":"https://openalex.org/keywords/philosophy","display_name":"Philosophy","score":0.0597442090511322}],"concepts":[{"id":"https://openalex.org/C40325409","wikidata":"https://www.wikidata.org/wiki/Q2360668","display_name":"Mass spectrum","level":3,"score":0.7309473752975464},{"id":"https://openalex.org/C40231798","wikidata":"https://www.wikidata.org/wiki/Q1333743","display_name":"Composition (language)","level":2,"score":0.5992447137832642},{"id":"https://openalex.org/C163111631","wikidata":"https://www.wikidata.org/wiki/Q1952454","display_name":"Carbon-13 NMR","level":2,"score":0.5915884375572205},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.5480364561080933},{"id":"https://openalex.org/C67787023","wikidata":"https://www.wikidata.org/wiki/Q6954755","display_name":"NMR spectra database","level":3,"score":0.5296732187271118},{"id":"https://openalex.org/C2984497647","wikidata":"https://www.wikidata.org/wiki/Q174211","display_name":"Organic molecules","level":3,"score":0.4301875829696655},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.3958699703216553},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3779289126396179},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.34789639711380005},{"id":"https://openalex.org/C162356407","wikidata":"https://www.wikidata.org/wiki/Q180809","display_name":"Mass spectrometry","level":2,"score":0.33778077363967896},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2618192732334137},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2190835177898407},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.13550454378128052},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0597442090511322},{"id":"https://openalex.org/C41895202","wikidata":"https://www.wikidata.org/wiki/Q8162","display_name":"Linguistics","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}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/0097-8485(94)80026-x","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(94)80026-x","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":7,"referenced_works":["https://openalex.org/W1980377592","https://openalex.org/W2015594836","https://openalex.org/W2017199324","https://openalex.org/W2038551490","https://openalex.org/W2043554301","https://openalex.org/W2050105094","https://openalex.org/W2064305859"],"related_works":["https://openalex.org/W1977853483","https://openalex.org/W2036032105","https://openalex.org/W4238908301","https://openalex.org/W2166757835","https://openalex.org/W2362478129","https://openalex.org/W2093862856","https://openalex.org/W2078034828","https://openalex.org/W2025240796","https://openalex.org/W2001222137","https://openalex.org/W2003824546"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}