{"id":"https://openalex.org/W2083651186","doi":"https://doi.org/10.1021/ci980024d","title":"Symmetry-Aided Computation of the Detour Matrix and the Detour Index","display_name":"Symmetry-Aided Computation of the Detour Matrix and the Detour Index","publication_year":1998,"publication_date":"1998-06-16","ids":{"openalex":"https://openalex.org/W2083651186","doi":"https://doi.org/10.1021/ci980024d","mag":"2083651186"},"language":"en","primary_location":{"id":"doi:10.1021/ci980024d","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci980024d","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/A5019261801","display_name":"Gerta R\u00fccker","orcid":"https://orcid.org/0000-0002-2192-2560"},"institutions":[{"id":"https://openalex.org/I161046081","display_name":"University of Freiburg","ror":"https://ror.org/0245cg223","country_code":"DE","type":"education","lineage":["https://openalex.org/I161046081"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Gerta R\u00fccker","raw_affiliation_strings":["Institut f\u00fcr Organische Chemie und Biochemie, Universit\u00e4t Freiburg, Albertstrasse 21, D-79104 Freiburg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut f\u00fcr Organische Chemie und Biochemie, Universit\u00e4t Freiburg, Albertstrasse 21, D-79104 Freiburg, Germany","institution_ids":["https://openalex.org/I161046081"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5027430861","display_name":"Christoph R\u00fccker","orcid":"https://orcid.org/0000-0002-9287-3153"},"institutions":[{"id":"https://openalex.org/I161046081","display_name":"University of Freiburg","ror":"https://ror.org/0245cg223","country_code":"DE","type":"education","lineage":["https://openalex.org/I161046081"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Christoph R\u00fccker","raw_affiliation_strings":["Institut f\u00fcr Organische Chemie und Biochemie, Universit\u00e4t Freiburg, Albertstrasse 21, D-79104 Freiburg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut f\u00fcr Organische Chemie und Biochemie, Universit\u00e4t Freiburg, Albertstrasse 21, D-79104 Freiburg, Germany","institution_ids":["https://openalex.org/I161046081"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I161046081"],"apc_list":null,"apc_paid":null,"fwci":4.1924,"has_fulltext":false,"cited_by_count":30,"citation_normalized_percentile":{"value":0.9498094,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"38","issue":"4","first_page":"710","last_page":"714"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11476","display_name":"Graph theory and applications","score":0.998199999332428,"subfield":{"id":"https://openalex.org/subfields/2608","display_name":"Geometry and Topology"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11476","display_name":"Graph theory and applications","score":0.998199999332428,"subfield":{"id":"https://openalex.org/subfields/2608","display_name":"Geometry and Topology"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9970999956130981,"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/T13297","display_name":"History and advancements in chemistry","score":0.9970999956130981,"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/computation","display_name":"Computation","score":0.5723168849945068},{"id":"https://openalex.org/keywords/topological-index","display_name":"Topological index","score":0.5518768429756165},{"id":"https://openalex.org/keywords/matrix","display_name":"Matrix (chemical analysis)","score":0.5443702340126038},{"id":"https://openalex.org/keywords/symmetry","display_name":"Symmetry (geometry)","score":0.4942374527454376},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.4642845690250397},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.46383294463157654},{"id":"https://openalex.org/keywords/directed-acyclic-graph","display_name":"Directed acyclic graph","score":0.4470762312412262},{"id":"https://openalex.org/keywords/index","display_name":"Index (typography)","score":0.4392751455307007},{"id":"https://openalex.org/keywords/path","display_name":"Path (computing)","score":0.4323119521141052},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4220614433288574},{"id":"https://openalex.org/keywords/tracing","display_name":"Tracing","score":0.42081063985824585},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.40778887271881104},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.35950204730033875},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.1357206404209137},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.07960742712020874}],"concepts":[{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.5723168849945068},{"id":"https://openalex.org/C159867001","wikidata":"https://www.wikidata.org/wiki/Q904942","display_name":"Topological index","level":2,"score":0.5518768429756165},{"id":"https://openalex.org/C106487976","wikidata":"https://www.wikidata.org/wiki/Q685816","display_name":"Matrix (chemical analysis)","level":2,"score":0.5443702340126038},{"id":"https://openalex.org/C2779886137","wikidata":"https://www.wikidata.org/wiki/Q21030012","display_name":"Symmetry (geometry)","level":2,"score":0.4942374527454376},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.4642845690250397},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.46383294463157654},{"id":"https://openalex.org/C74197172","wikidata":"https://www.wikidata.org/wiki/Q1195339","display_name":"Directed acyclic graph","level":2,"score":0.4470762312412262},{"id":"https://openalex.org/C2777382242","wikidata":"https://www.wikidata.org/wiki/Q6017816","display_name":"Index (typography)","level":2,"score":0.4392751455307007},{"id":"https://openalex.org/C2777735758","wikidata":"https://www.wikidata.org/wiki/Q817765","display_name":"Path (computing)","level":2,"score":0.4323119521141052},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4220614433288574},{"id":"https://openalex.org/C138673069","wikidata":"https://www.wikidata.org/wiki/Q322229","display_name":"Tracing","level":2,"score":0.42081063985824585},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.40778887271881104},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.35950204730033875},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.1357206404209137},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.07960742712020874},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.0},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ci980024d","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci980024d","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"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":11,"referenced_works":["https://openalex.org/W1989085902","https://openalex.org/W1993650272","https://openalex.org/W2002147588","https://openalex.org/W2004072180","https://openalex.org/W2043705415","https://openalex.org/W2051599830","https://openalex.org/W2059260825","https://openalex.org/W2130739480","https://openalex.org/W4212911851","https://openalex.org/W4213214460","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2731094954","https://openalex.org/W2789273959","https://openalex.org/W4302345037","https://openalex.org/W2952978498","https://openalex.org/W2888673113","https://openalex.org/W2951616510","https://openalex.org/W1998712144","https://openalex.org/W3122467582","https://openalex.org/W1763561501","https://openalex.org/W4292730466"],"abstract_inverted_index":{"A":[0,42],"computer":[1],"program":[2,27],"for":[3,69,94],"calculating":[4],"the":[5,13,26,34,47,51,83,97],"graph-theoretical":[6],"detour":[7,48,52,78],"matrix":[8,49],"is":[9,56,60,64,87],"introduced,":[10],"which":[11],"uses":[12],"topological":[14],"symmetry":[15],"of":[16,25,33,36,46,72,96,100,104],"a":[17,67,101],"graph":[18],"to":[19,30,119],"minimize":[20],"path-tracing.":[21],"The":[22,77],"high":[23],"performance":[24],"allows":[28],"one":[29],"treat":[31],"graphs":[32],"complexity":[35],"fullerenes":[37],"(e.g.,":[38],"C":[39],"60":[40],").":[41],"more":[43,88],"logical":[44],"definition":[45],"and":[50,74,109],"index":[53,79,85,93],"\u03c9":[54,63],"than":[55,90],"presently":[57],"in":[58,80],"use":[59],"proposed.":[61],"Index":[62],"probed":[65],"as":[66],"descriptor":[68],"boiling":[70,98,114],"points":[71,99,115],"acyclic":[73,108],"cyclic":[75,110],"alkanes.":[76],"combination":[81],"with":[82,112],"Wiener":[84],"W":[86],"useful":[89],"Hosoya's":[91],"Z":[92],"regression":[95],"large":[102],"sample":[103],"compounds":[105],"containing":[106],"all":[107],"alkanes":[111],"known":[113],"from":[116],"methane":[117],"up":[118],"polycyclic":[120],"octanes.":[121]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":7},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2015,"cited_by_count":1}],"updated_date":"2026-06-16T07:32:37.131356","created_date":"2025-10-10T00:00:00"}