{"id":"https://openalex.org/W2003015089","doi":"https://doi.org/10.1021/ci970283n","title":"Structure Prediction of Benzene Clusters Using a Genetic Algorithm","display_name":"Structure Prediction of Benzene Clusters Using a Genetic Algorithm","publication_year":1997,"publication_date":"1997-11-01","ids":{"openalex":"https://openalex.org/W2003015089","doi":"https://doi.org/10.1021/ci970283n","mag":"2003015089"},"language":"en","primary_location":{"id":"doi:10.1021/ci970283n","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci970283n","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/A5026200920","display_name":"Wayne Pullan","orcid":"https://orcid.org/0000-0001-7413-4077"},"institutions":[{"id":"https://openalex.org/I74899385","display_name":"Central Queensland University","ror":"https://ror.org/023q4bk22","country_code":"AU","type":"education","lineage":["https://openalex.org/I74899385"]}],"countries":["AU"],"is_corresponding":true,"raw_author_name":"W. J. Pullan","raw_affiliation_strings":["Department of Mathematics and Computing, Central Queensland University, Rockhampton, Queensland, Australia 4702","Department of Mathematics and Computing, Central Queensland University, Rockhampton, Queensland, Australia, 4702"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Mathematics and Computing, Central Queensland University, Rockhampton, Queensland, Australia 4702","institution_ids":["https://openalex.org/I74899385"]},{"raw_affiliation_string":"Department of Mathematics and Computing, Central Queensland University, Rockhampton, Queensland, Australia, 4702","institution_ids":["https://openalex.org/I74899385"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5026200920"],"corresponding_institution_ids":["https://openalex.org/I74899385"],"apc_list":null,"apc_paid":null,"fwci":2.0433,"has_fulltext":false,"cited_by_count":44,"citation_normalized_percentile":{"value":0.85633174,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"37","issue":"6","first_page":"1189","last_page":"1193"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9828000068664551,"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":0.9828000068664551,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9711999893188477,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9513000249862671,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/benzene","display_name":"Benzene","score":0.802842378616333},{"id":"https://openalex.org/keywords/genetic-algorithm","display_name":"Genetic algorithm","score":0.7234048843383789},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.6113792657852173},{"id":"https://openalex.org/keywords/energy","display_name":"Energy (signal processing)","score":0.5114525556564331},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.4922849237918854},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.459094375371933},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2726234495639801},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.24814006686210632},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.11987149715423584},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.06815484166145325},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.05819201469421387}],"concepts":[{"id":"https://openalex.org/C2777691172","wikidata":"https://www.wikidata.org/wiki/Q2270","display_name":"Benzene","level":2,"score":0.802842378616333},{"id":"https://openalex.org/C8880873","wikidata":"https://www.wikidata.org/wiki/Q187787","display_name":"Genetic algorithm","level":2,"score":0.7234048843383789},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.6113792657852173},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.5114525556564331},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.4922849237918854},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.459094375371933},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2726234495639801},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.24814006686210632},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.11987149715423584},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.06815484166145325},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.05819201469421387}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ci970283n","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci970283n","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":[{"score":0.8500000238418579,"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320332538","display_name":"University of Colorado Boulder","ror":"https://ror.org/02ttsq026"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":7,"referenced_works":["https://openalex.org/W1980126226","https://openalex.org/W2009034413","https://openalex.org/W2013049706","https://openalex.org/W2026695040","https://openalex.org/W2092188627","https://openalex.org/W2133940682","https://openalex.org/W3023540311"],"related_works":["https://openalex.org/W2051487156","https://openalex.org/W3027016565","https://openalex.org/W2380764344","https://openalex.org/W1912959589","https://openalex.org/W123874623","https://openalex.org/W2073681303","https://openalex.org/W2028872807","https://openalex.org/W1966074290","https://openalex.org/W2201574675","https://openalex.org/W2048564905"],"abstract_inverted_index":{"This":[0],"paper":[1],"describes":[2],"a":[3],"real":[4],"coded,":[5],"parallel":[6],"genetic":[7,32],"algorithm":[8,33],"implemented":[9],"to":[10,36,45],"find":[11,37],"global":[12],"minimum":[13,38],"energy":[14,39],"structures":[15,40],"of":[16,18,43],"clusters":[17,42],"benzene":[19,47],"(C":[20],"6":[21,23],"H":[22],")":[24],"molecules.":[25,48],"Starting":[26],"from":[27],"randomly":[28],"generated":[29],"structures,":[30],"the":[31],"was":[34],"able":[35],"for":[41],"two":[44],"fifteen":[46]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2020,"cited_by_count":3},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":2}],"updated_date":"2026-07-30T17:31:21.811387","created_date":"2025-10-10T00:00:00"}