{"id":"https://openalex.org/W1982985811","doi":"https://doi.org/10.1021/ci0000777","title":"Distance-Related Indexes in the Quantitative Structure\u2212Property Relationship Modeling","display_name":"Distance-Related Indexes in the Quantitative Structure\u2212Property Relationship Modeling","publication_year":2001,"publication_date":"2001-01-09","ids":{"openalex":"https://openalex.org/W1982985811","doi":"https://doi.org/10.1021/ci0000777","mag":"1982985811","pmid":"https://pubmed.ncbi.nlm.nih.gov/11410027"},"language":"en","primary_location":{"id":"doi:10.1021/ci0000777","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci0000777","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/A5063584815","display_name":"Bono Lu\u010di\u0107","orcid":"https://orcid.org/0000-0001-7232-2007"},"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":false,"raw_author_name":"Bono Lu\u010di\u0107","raw_affiliation_strings":["The Rugjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, HR-10002 Zagreb, Croatia, and Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"The Rugjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, HR-10002 Zagreb, Croatia, and Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary","institution_ids":["https://openalex.org/I7597260"]}]},{"author_position":"middle","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":false,"raw_author_name":"Istv\u00e1n Lukovits","raw_affiliation_strings":["The Rugjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, HR-10002 Zagreb, Croatia, and Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"The Rugjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, HR-10002 Zagreb, Croatia, and Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary","institution_ids":["https://openalex.org/I7597260"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078351461","display_name":"Sonja Nikoli\u0107","orcid":"https://orcid.org/0000-0003-3203-040X"},"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":false,"raw_author_name":"Sonja Nikoli\u0107","raw_affiliation_strings":["The Rugjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, HR-10002 Zagreb, Croatia, and Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"The Rugjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, HR-10002 Zagreb, Croatia, and Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary","institution_ids":["https://openalex.org/I7597260"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5008017709","display_name":"Nenad Trinajsti\u0107","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":false,"raw_author_name":"Nenad Trinajsti\u0107","raw_affiliation_strings":["The Rugjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, HR-10002 Zagreb, Croatia, and Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"The Rugjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, HR-10002 Zagreb, Croatia, and Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary","institution_ids":["https://openalex.org/I7597260"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I7597260"],"apc_list":null,"apc_paid":null,"fwci":6.228,"has_fulltext":false,"cited_by_count":55,"citation_normalized_percentile":{"value":0.96670218,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"41","issue":"3","first_page":"527","last_page":"535"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11476","display_name":"Graph theory and applications","score":0.9991999864578247,"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":0.9991999864578247,"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":0.9987999796867371,"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/T13297","display_name":"History and advancements in chemistry","score":0.9937999844551086,"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/wiener-index","display_name":"Wiener index","score":0.9170202016830444},{"id":"https://openalex.org/keywords/index","display_name":"Index (typography)","score":0.6499106884002686},{"id":"https://openalex.org/keywords/topological-index","display_name":"Topological index","score":0.5799829363822937},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.572260856628418},{"id":"https://openalex.org/keywords/boiling-point","display_name":"Boiling point","score":0.5441845059394836},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.542431116104126},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3253409266471863},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.09052827954292297},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.08928772807121277}],"concepts":[{"id":"https://openalex.org/C16640446","wikidata":"https://www.wikidata.org/wiki/Q909065","display_name":"Wiener index","level":3,"score":0.9170202016830444},{"id":"https://openalex.org/C2777382242","wikidata":"https://www.wikidata.org/wiki/Q6017816","display_name":"Index (typography)","level":2,"score":0.6499106884002686},{"id":"https://openalex.org/C159867001","wikidata":"https://www.wikidata.org/wiki/Q904942","display_name":"Topological index","level":2,"score":0.5799829363822937},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.572260856628418},{"id":"https://openalex.org/C188596812","wikidata":"https://www.wikidata.org/wiki/Q1003183","display_name":"Boiling point","level":2,"score":0.5441845059394836},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.542431116104126},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3253409266471863},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.09052827954292297},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.08928772807121277},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.0},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ci0000777","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci0000777","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:11410027","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/11410027","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":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":14,"referenced_works":["https://openalex.org/W623814603","https://openalex.org/W2002147588","https://openalex.org/W2004072180","https://openalex.org/W2016496752","https://openalex.org/W2018336521","https://openalex.org/W2024813609","https://openalex.org/W2025375504","https://openalex.org/W2051025159","https://openalex.org/W2076274021","https://openalex.org/W2083651186","https://openalex.org/W2088365557","https://openalex.org/W2093356685","https://openalex.org/W2154117231","https://openalex.org/W2409065277"],"related_works":["https://openalex.org/W1530753320","https://openalex.org/W2337701229","https://openalex.org/W2947875569","https://openalex.org/W1992064123","https://openalex.org/W2063284425","https://openalex.org/W2329275106","https://openalex.org/W2389441820","https://openalex.org/W1796630930","https://openalex.org/W2289583476","https://openalex.org/W2153394446"],"abstract_inverted_index":{"A":[0],"comparative":[1],"study":[2],"of":[3,10,19,26,84,95,108,114,127,140,143,150,157,173,184,200],"structure-boiling":[4],"point":[5],"modeling":[6,181],"for":[7,122,204],"a":[8,24],"set":[9],"180":[11,131],"acyclic":[12,28,132],"and":[13,17,29,33,40,48,80,111,130,133,146,149,154,166,168,177,186,195],"cyclic":[14,30,134],"hydrocarbons":[15],"(DS-180)":[16],"two":[18],"its":[20],"subsets":[21],"(one":[22],"containing":[23,36],"selection":[25],"76":[27],"alkanes":[31,135,185],"(DS-76),":[32],"the":[34,81,85,92,97,101,106,112,117,124,137,141,144,151,155,171,174,198,201,205],"other":[35],"104":[37],"(DS-104)":[38],"mono-":[39],"polycyclic":[41],"butanes":[42],"through":[43],"octanes)":[44],"using":[45],"several":[46],"known":[47],"novel":[49],"distance-related":[50,55],"indices":[51,56,89,179],"is":[52],"reported.":[53],"The":[54,119],"used":[57,90],"were":[58,91],"as":[59],"follows:":[60],"Wiener":[61,86],"index,":[62,64,66,68,70,72,74,76,100,105],"hyper-Wiener":[63],"detour":[65,147],"hyper-detour":[67],"Harary":[69],"Pasar\u00e9ti":[71,152],"V\u00e9rhalom":[73],"Wiener-sum":[75,78],"inverse":[77],"index":[79,148,153],"product-form":[82],"version":[83],"index.":[87],"Additional":[88],"total":[93,102],"number":[94,107,113,156],"paths,":[96],"Hosoya":[98,145,178],"Z":[99],"walk":[103],"count":[104],"carbon":[109],"atoms,":[110],"rings":[115],"in":[116,180],"hydrocarbon.":[118],"best":[120],"models":[121],"predicting":[123],"boiling":[125,182],"points":[126,183],"76,":[128],"104,":[129],"contain":[136],"natural":[138],"logarithm":[139],"cross-products":[142],"rings.":[158],"This":[159],"result":[160],"extends":[161],"earlier":[162],"work":[163,192],"by":[164,193],"us":[165],"R\u00fccker":[167,169,194,196],"on":[170,197],"use":[172,199],"Wiener,":[175],"detour,":[176],"cycloalkanes.":[187],"It":[188],"also":[189],"supports":[190],"later":[191],"descriptor":[202],"combination":[203],"same":[206],"purpose.":[207]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":5},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":4}],"updated_date":"2026-06-17T06:14:20.161405","created_date":"2025-10-10T00:00:00"}
