{"id":"https://openalex.org/W1989420868","doi":"https://doi.org/10.1021/ci990085r","title":"Isomer Generation:\u2009 Semantic Rules for Detection of Isomorphism","display_name":"Isomer Generation:\u2009 Semantic Rules for Detection of Isomorphism","publication_year":2000,"publication_date":"2000-01-19","ids":{"openalex":"https://openalex.org/W1989420868","doi":"https://doi.org/10.1021/ci990085r","mag":"1989420868","pmid":"https://pubmed.ncbi.nlm.nih.gov/10761141"},"language":"en","primary_location":{"id":"doi:10.1021/ci990085r","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci990085r","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","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/A5111415372","display_name":"Istv\u00e1n Lukovits","orcid":null},"institutions":[{"id":"https://openalex.org/I7597260","display_name":"Hungarian Academy of Sciences","ror":"https://ror.org/02ks8qq67","country_code":"HU","type":"government","lineage":["https://openalex.org/I7597260"]}],"countries":["HU"],"is_corresponding":true,"raw_author_name":"Istv\u00e1n Lukovits","raw_affiliation_strings":["Chemical Research Center, Hungarian Academy of Sciences, H-1525 Budapest, P.O. Box 17, Hungary","Chemical Research Center, Hungarian Academy of Sciences, H-1525 Budapest, P. O. Box 17, Hungary"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Research Center, Hungarian Academy of Sciences, H-1525 Budapest, P.O. Box 17, Hungary","institution_ids":["https://openalex.org/I7597260"]},{"raw_affiliation_string":"Chemical Research Center, Hungarian Academy of Sciences, H-1525 Budapest, P. O. Box 17, Hungary","institution_ids":["https://openalex.org/I7597260"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5111415372"],"corresponding_institution_ids":["https://openalex.org/I7597260"],"apc_list":null,"apc_paid":null,"fwci":1.3854,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.80491474,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":"40","issue":"2","first_page":"361","last_page":"366"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9987999796867371,"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":0.9987999796867371,"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":0.9912999868392944,"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/T13297","display_name":"History and advancements in chemistry","score":0.9848999977111816,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/computer-science","display_name":"Computer science","score":0.6875671148300171},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.6269810199737549},{"id":"https://openalex.org/keywords/isomorphism","display_name":"Isomorphism (crystallography)","score":0.6101656556129456},{"id":"https://openalex.org/keywords/adjacency-matrix","display_name":"Adjacency matrix","score":0.5832063555717468},{"id":"https://openalex.org/keywords/directed-acyclic-graph","display_name":"Directed acyclic graph","score":0.5047286748886108},{"id":"https://openalex.org/keywords/adjacency-list","display_name":"Adjacency list","score":0.4728030562400818},{"id":"https://openalex.org/keywords/encode","display_name":"ENCODE","score":0.4506722092628479},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.4247591495513916},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.42085665464401245},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.37023207545280457},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.32062578201293945},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.2699636220932007},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.1648184359073639},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.09088051319122314}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6875671148300171},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.6269810199737549},{"id":"https://openalex.org/C203436722","wikidata":"https://www.wikidata.org/wiki/Q902950","display_name":"Isomorphism (crystallography)","level":3,"score":0.6101656556129456},{"id":"https://openalex.org/C180356752","wikidata":"https://www.wikidata.org/wiki/Q727035","display_name":"Adjacency matrix","level":3,"score":0.5832063555717468},{"id":"https://openalex.org/C74197172","wikidata":"https://www.wikidata.org/wiki/Q1195339","display_name":"Directed acyclic graph","level":2,"score":0.5047286748886108},{"id":"https://openalex.org/C110484373","wikidata":"https://www.wikidata.org/wiki/Q264398","display_name":"Adjacency list","level":2,"score":0.4728030562400818},{"id":"https://openalex.org/C66746571","wikidata":"https://www.wikidata.org/wiki/Q1134833","display_name":"ENCODE","level":3,"score":0.4506722092628479},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.4247591495513916},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.42085665464401245},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.37023207545280457},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.32062578201293945},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2699636220932007},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.1648184359073639},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.09088051319122314},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.0},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.0},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ci990085r","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci990085r","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":"pmid:10761141","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/10761141","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 computer sciences","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Peace, Justice and strong institutions","score":0.7099999785423279,"id":"https://metadata.un.org/sdg/16"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":19,"referenced_works":["https://openalex.org/W1965623718","https://openalex.org/W1977864100","https://openalex.org/W1979374548","https://openalex.org/W1984112688","https://openalex.org/W2010286431","https://openalex.org/W2013581344","https://openalex.org/W2029245986","https://openalex.org/W2044834685","https://openalex.org/W2060821341","https://openalex.org/W2068469457","https://openalex.org/W2069573286","https://openalex.org/W2074077289","https://openalex.org/W2076992940","https://openalex.org/W2077396836","https://openalex.org/W2120176413","https://openalex.org/W2917181036","https://openalex.org/W2953180965","https://openalex.org/W4238937698","https://openalex.org/W4247781591"],"related_works":["https://openalex.org/W4213150077","https://openalex.org/W2369410163","https://openalex.org/W2982430984","https://openalex.org/W2059018062","https://openalex.org/W1991172810","https://openalex.org/W125803343","https://openalex.org/W2564285047","https://openalex.org/W4280593160","https://openalex.org/W2604585036","https://openalex.org/W2117632582"],"abstract_inverted_index":{"The":[0,29,99,146],"problem":[1],"of":[2,5,9,13,44,47,61,72,83,129,154],"exhaustive":[3],"generation":[4],"a":[6,73],"nonredundant":[7],"set":[8,46],"structural":[10],"formulas":[11],"(graphs)":[12],"acyclic":[14,156],"alkanes":[15],"was":[16,27,124,149],"considered.":[17],"A":[18],"technique":[19],"based":[20],"on":[21],"the":[22,39,52,59,78,105,112],"compressed":[23],"adjacency":[24],"matrix":[25],"(CAM)":[26],"proposed.":[28,98],"algorithm":[30,100],"generates":[31],"CAMs,":[32],"which":[33],"encode":[34],"trees":[35],"numbered":[36,63],"according":[37],"to":[38,51,87,107,110,143],"Morgan":[40,54],"naming":[41],"algorithm.":[42],"Out":[43],"this":[45,84,91],"CAMs":[48,60,67,130,153],"those":[49],"corresponding":[50],"maximal":[53,135],"codes--which":[55],"in":[56],"fact":[57],"are":[58,68],"canonically":[62],"isomers--must":[64],"be":[65,88],"found.":[66],"conceived":[69],"as":[70],"\"sentences\"":[71],"primitive":[74],"language.":[75],"Sentences":[76],"violating":[77],"syntactic":[79],"and":[80,104,137],"semantic":[81,94],"rules":[82,95],"language":[85],"have":[86,96],"discarded.":[89],"In":[90],"paper":[92],"three":[93],"been":[97],"devised":[101],"is":[102,140],"efficient,":[103],"decision":[106],"retain":[108],"or":[109],"reject":[111],"actual":[113],"structure":[114],"does":[115],"not":[116,132,141],"involve":[117],"any":[118,134],"comparison":[119],"with":[120],"other":[121],"structures.":[122],"It":[123],"proved":[125],"that":[126],"several":[127],"subsets":[128],"will":[131],"contain":[133],"CAM":[136],"therefore":[138],"it":[139],"necessary":[142],"generate":[144],"them.":[145],"whole":[147],"procedure":[148],"illustrated":[150],"by":[151],"generating":[152],"all":[155],"graphs":[157],"containing":[158],"nine":[159],"vertices.":[160]},"counts_by_year":[{"year":2015,"cited_by_count":1}],"updated_date":"2026-07-30T17:31:21.811387","created_date":"2016-06-24T00:00:00"}