{"id":"https://openalex.org/W2950485987","doi":"https://doi.org/10.1021/ci970030u","title":"Spectral Moments of the Edge Adjacency Matrix in Molecular Graphs. 3. Molecules Containing Cycles","display_name":"Spectral Moments of the Edge Adjacency Matrix in Molecular Graphs. 3. Molecules Containing Cycles","publication_year":1998,"publication_date":"1998-01-19","ids":{"openalex":"https://openalex.org/W2950485987","doi":"https://doi.org/10.1021/ci970030u","mag":"2950485987"},"language":"en","primary_location":{"id":"doi:10.1021/ci970030u","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci970030u","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/A5042185860","display_name":"Ernesto Estrada","orcid":"https://orcid.org/0000-0002-3066-7418"},"institutions":[{"id":"https://openalex.org/I16097986","display_name":"Universitat de Val\u00e8ncia","ror":"https://ror.org/043nxc105","country_code":"ES","type":"education","lineage":["https://openalex.org/I16097986"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Ernesto Estrada","raw_affiliation_strings":["Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Burjassot (Valencia), Spain"],"affiliations":[{"raw_affiliation_string":"Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Burjassot (Valencia), Spain","institution_ids":["https://openalex.org/I16097986"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5042185860"],"corresponding_institution_ids":["https://openalex.org/I16097986"],"apc_list":null,"apc_paid":null,"fwci":7.8533,"has_fulltext":false,"cited_by_count":106,"citation_normalized_percentile":{"value":0.98089991,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"38","issue":"1","first_page":"23","last_page":"27"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9973999857902527,"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":0.9973999857902527,"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/T11476","display_name":"Graph theory and applications","score":0.9973999857902527,"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/T13013","display_name":"Free Radicals and Antioxidants","score":0.9954000115394592,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/adjacency-matrix","display_name":"Adjacency matrix","score":0.8263591527938843},{"id":"https://openalex.org/keywords/adjacency-list","display_name":"Adjacency list","score":0.6527363657951355},{"id":"https://openalex.org/keywords/matrix","display_name":"Matrix (chemical analysis)","score":0.5779006481170654},{"id":"https://openalex.org/keywords/enhanced-data-rates-for-gsm-evolution","display_name":"Enhanced Data Rates for GSM Evolution","score":0.5650027394294739},{"id":"https://openalex.org/keywords/series","display_name":"Series (stratigraphy)","score":0.543982744216919},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.5299196243286133},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.5227389931678772},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.5012545585632324},{"id":"https://openalex.org/keywords/power-series","display_name":"Power series","score":0.47644880414009094},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.4572983682155609},{"id":"https://openalex.org/keywords/discrete-mathematics","display_name":"Discrete mathematics","score":0.3345075249671936},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.30900153517723083},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2530585527420044},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.23298263549804688},{"id":"https://openalex.org/keywords/mathematical-analysis","display_name":"Mathematical analysis","score":0.22256168723106384},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.11358919739723206},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.08559215068817139}],"concepts":[{"id":"https://openalex.org/C180356752","wikidata":"https://www.wikidata.org/wiki/Q727035","display_name":"Adjacency matrix","level":3,"score":0.8263591527938843},{"id":"https://openalex.org/C110484373","wikidata":"https://www.wikidata.org/wiki/Q264398","display_name":"Adjacency list","level":2,"score":0.6527363657951355},{"id":"https://openalex.org/C106487976","wikidata":"https://www.wikidata.org/wiki/Q685816","display_name":"Matrix (chemical analysis)","level":2,"score":0.5779006481170654},{"id":"https://openalex.org/C162307627","wikidata":"https://www.wikidata.org/wiki/Q204833","display_name":"Enhanced Data Rates for GSM Evolution","level":2,"score":0.5650027394294739},{"id":"https://openalex.org/C143724316","wikidata":"https://www.wikidata.org/wiki/Q312468","display_name":"Series (stratigraphy)","level":2,"score":0.543982744216919},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.5299196243286133},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.5227389931678772},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5012545585632324},{"id":"https://openalex.org/C73905626","wikidata":"https://www.wikidata.org/wiki/Q206925","display_name":"Power series","level":2,"score":0.47644880414009094},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.4572983682155609},{"id":"https://openalex.org/C118615104","wikidata":"https://www.wikidata.org/wiki/Q121416","display_name":"Discrete mathematics","level":1,"score":0.3345075249671936},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.30900153517723083},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2530585527420044},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.23298263549804688},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.22256168723106384},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.11358919739723206},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.08559215068817139},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","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/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0},{"id":"https://openalex.org/C76155785","wikidata":"https://www.wikidata.org/wiki/Q418","display_name":"Telecommunications","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ci970030u","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci970030u","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":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":9,"referenced_works":["https://openalex.org/W1981823695","https://openalex.org/W1987181947","https://openalex.org/W1987588498","https://openalex.org/W2007060095","https://openalex.org/W2037748944","https://openalex.org/W2044210011","https://openalex.org/W2049288455","https://openalex.org/W2317149833","https://openalex.org/W4213442697"],"related_works":["https://openalex.org/W3134848558","https://openalex.org/W2102534583","https://openalex.org/W4321381909","https://openalex.org/W2079814601","https://openalex.org/W2887981140","https://openalex.org/W4205986201","https://openalex.org/W4362631084","https://openalex.org/W4293068625","https://openalex.org/W2083881167","https://openalex.org/W2144711981"],"abstract_inverted_index":{"A":[0],"substructural":[1],"approach":[2],"to":[3,19,84],"quantitative":[4],"structure\u2212property":[5],"relationships":[6],"based":[7],"on":[8],"the":[9,13,51,58,75,78,82,85],"spectral":[10],"moments":[11,24],"of":[12,30,33,36,42,45,57,67,77,81],"edge":[14],"adjacency":[15],"matrix":[16],"is":[17],"extended":[18],"molecules":[20,83],"containing":[21],"cycles.":[22],"Spectral":[23],"are":[25],"expressed":[26],"as":[27],"linear":[28],"combinations":[29],"structural":[31],"fragments":[32,80],"any":[34],"kind":[35],"nonweighted":[37],"graphs.":[38],"The":[39,54],"boiling":[40,86],"points":[41],"a":[43,64],"series":[44],"80":[46],"cycloalkanes":[47],"was":[48,60,88],"well-described":[49],"by":[50,62],"present":[52],"approach.":[53],"predictive":[55],"power":[56],"model":[59],"proved":[61],"using":[63],"test":[65],"set":[66],"another":[68],"26":[69],"compounds.":[70],"An":[71],"equation":[72],"that":[73],"expresses":[74],"contribution":[76],"different":[79],"point":[87],"obtained.":[89]},"counts_by_year":[{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":5},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":8},{"year":2012,"cited_by_count":12}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
