{"id":"https://openalex.org/W1988815932","doi":"https://doi.org/10.1109/icnc.2010.5584422","title":"QSPR study for the prediction of UV maximum absorption wavelength of coumarins by heuristic method and radial basis function neural network","display_name":"QSPR study for the prediction of UV maximum absorption wavelength of coumarins by heuristic method and radial basis function neural network","publication_year":2010,"publication_date":"2010-08-01","ids":{"openalex":"https://openalex.org/W1988815932","doi":"https://doi.org/10.1109/icnc.2010.5584422","mag":"1988815932"},"language":"en","primary_location":{"id":"doi:10.1109/icnc.2010.5584422","is_oa":false,"landing_page_url":"https://doi.org/10.1109/icnc.2010.5584422","pdf_url":null,"source":{"id":"https://openalex.org/S4363608012","display_name":"2010 Sixth International Conference on Natural Computation","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2010 Sixth International Conference on Natural Computation","raw_type":"proceedings-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/A5063142029","display_name":"Ping-Hsuan Han","orcid":"https://orcid.org/0000-0003-3631-9139"},"institutions":[{"id":"https://openalex.org/I18452120","display_name":"Yantai University","ror":"https://ror.org/01rp41m56","country_code":"CN","type":"education","lineage":["https://openalex.org/I18452120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ping Han","raw_affiliation_strings":["Department of Applied Chemistry, Yantai University, Yantai, China","Department of Applied Chemistry, Yantai University, 264005, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Yantai University, Yantai, China","institution_ids":["https://openalex.org/I18452120"]},{"raw_affiliation_string":"Department of Applied Chemistry, Yantai University, 264005, China","institution_ids":["https://openalex.org/I18452120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5119272165","display_name":"Huitao Liu","orcid":"https://orcid.org/0000-0001-8351-5541"},"institutions":[{"id":"https://openalex.org/I18452120","display_name":"Yantai University","ror":"https://ror.org/01rp41m56","country_code":"CN","type":"education","lineage":["https://openalex.org/I18452120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Huitao Liu","raw_affiliation_strings":["Department of Applied Chemistry, Yantai University, Yantai, China","Department of Applied Chemistry, Yantai University, 264005, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Yantai University, Yantai, China","institution_ids":["https://openalex.org/I18452120"]},{"raw_affiliation_string":"Department of Applied Chemistry, Yantai University, 264005, China","institution_ids":["https://openalex.org/I18452120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070707094","display_name":"Yingying Wen","orcid":"https://orcid.org/0000-0003-4327-6368"},"institutions":[{"id":"https://openalex.org/I18452120","display_name":"Yantai University","ror":"https://ror.org/01rp41m56","country_code":"CN","type":"education","lineage":["https://openalex.org/I18452120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yingying Wen","raw_affiliation_strings":["Department of Applied Chemistry, Yantai University, Yantai, China","Department of Applied Chemistry, Yantai University, 264005, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Yantai University, Yantai, China","institution_ids":["https://openalex.org/I18452120"]},{"raw_affiliation_string":"Department of Applied Chemistry, Yantai University, 264005, China","institution_ids":["https://openalex.org/I18452120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021107015","display_name":"Guangfen Mu","orcid":null},"institutions":[{"id":"https://openalex.org/I18452120","display_name":"Yantai University","ror":"https://ror.org/01rp41m56","country_code":"CN","type":"education","lineage":["https://openalex.org/I18452120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Guangfen Mu","raw_affiliation_strings":["Department of Applied Chemistry, Yantai University, Yantai, China","Department of Applied Chemistry, Yantai University, 264005, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Yantai University, Yantai, China","institution_ids":["https://openalex.org/I18452120"]},{"raw_affiliation_string":"Department of Applied Chemistry, Yantai University, 264005, China","institution_ids":["https://openalex.org/I18452120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028812740","display_name":"Yuan Gao","orcid":"https://orcid.org/0000-0002-6442-262X"},"institutions":[{"id":"https://openalex.org/I18452120","display_name":"Yantai University","ror":"https://ror.org/01rp41m56","country_code":"CN","type":"education","lineage":["https://openalex.org/I18452120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuan Gao","raw_affiliation_strings":["Department of Applied Chemistry, Yantai University, Yantai, China","Department of Applied Chemistry, Yantai University, 264005, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Yantai University, Yantai, China","institution_ids":["https://openalex.org/I18452120"]},{"raw_affiliation_string":"Department of Applied Chemistry, Yantai University, 264005, China","institution_ids":["https://openalex.org/I18452120"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5055771112","display_name":"Feng Luan","orcid":"https://orcid.org/0000-0003-0254-2973"},"institutions":[{"id":"https://openalex.org/I18452120","display_name":"Yantai University","ror":"https://ror.org/01rp41m56","country_code":"CN","type":"education","lineage":["https://openalex.org/I18452120"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Feng Luan","raw_affiliation_strings":["Department of Applied Chemistry, Yantai University, Yantai, China","Department of Applied Chemistry, Yantai University, 264005, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Yantai University, Yantai, China","institution_ids":["https://openalex.org/I18452120"]},{"raw_affiliation_string":"Department of Applied Chemistry, Yantai University, 264005, China","institution_ids":["https://openalex.org/I18452120"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I18452120"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.05154639,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":null,"issue":null,"first_page":"1778","last_page":"1782"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.9987999796867371,"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"}},"topics":[{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.9987999796867371,"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"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9965999722480774,"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":0.9890999794006348,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/test-set","display_name":"Test set","score":0.5481305122375488},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.511671781539917},{"id":"https://openalex.org/keywords/function","display_name":"Function (biology)","score":0.5106478333473206},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.45189499855041504},{"id":"https://openalex.org/keywords/heuristic","display_name":"Heuristic","score":0.4168274998664856},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.4106457233428955},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3702569901943207},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.06133842468261719}],"concepts":[{"id":"https://openalex.org/C169903167","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Test set","level":2,"score":0.5481305122375488},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.511671781539917},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.5106478333473206},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.45189499855041504},{"id":"https://openalex.org/C173801870","wikidata":"https://www.wikidata.org/wiki/Q201413","display_name":"Heuristic","level":2,"score":0.4168274998664856},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.4106457233428955},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3702569901943207},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.06133842468261719},{"id":"https://openalex.org/C78458016","wikidata":"https://www.wikidata.org/wiki/Q840400","display_name":"Evolutionary biology","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:10.1109/icnc.2010.5584422","is_oa":false,"landing_page_url":"https://doi.org/10.1109/icnc.2010.5584422","pdf_url":null,"source":{"id":"https://openalex.org/S4363608012","display_name":"2010 Sixth International Conference on Natural Computation","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2010 Sixth International Conference on Natural Computation","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":28,"referenced_works":["https://openalex.org/W106879616","https://openalex.org/W195800854","https://openalex.org/W628204631","https://openalex.org/W1932423912","https://openalex.org/W1966452296","https://openalex.org/W1967210703","https://openalex.org/W1970496862","https://openalex.org/W1980019773","https://openalex.org/W1983734091","https://openalex.org/W1985448876","https://openalex.org/W1986503300","https://openalex.org/W1989089243","https://openalex.org/W2001289229","https://openalex.org/W2002077062","https://openalex.org/W2006062891","https://openalex.org/W2006559651","https://openalex.org/W2011469832","https://openalex.org/W2038542913","https://openalex.org/W2048188817","https://openalex.org/W2060284559","https://openalex.org/W2060562487","https://openalex.org/W2070010056","https://openalex.org/W2074477091","https://openalex.org/W2093551582","https://openalex.org/W2331408716","https://openalex.org/W2950915491","https://openalex.org/W3004845058","https://openalex.org/W6608017155"],"related_works":["https://openalex.org/W1828750805","https://openalex.org/W2383918176","https://openalex.org/W2154177135","https://openalex.org/W2951627661","https://openalex.org/W4301628046","https://openalex.org/W2170587542","https://openalex.org/W2252747487","https://openalex.org/W2511569936","https://openalex.org/W4307413935","https://openalex.org/W3158697290"],"abstract_inverted_index":{"In":[0],"an":[1],"attempt":[2],"to":[3],"develop":[4],"predictive":[5,123],"tools":[6],"for":[7,23,75,87,103,115],"the":[8,11,65,76,88,92,104,116],"determination":[9],"of":[10,28],"UV":[12],"maximum":[13],"absorption":[14],"wavelength":[15],"(\u03bb":[16],"<sub":[17,25],"xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"":[18,26,70,82,97,110],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">max</sub>":[19,27],"),":[20],"QSPR":[21],"models":[22],"\u03bb":[24],"50":[29],"coumarins":[30],"were":[31,58],"developed":[32],"based":[33],"on":[34],"their":[35],"structures":[36],"alone.":[37],"A":[38],"six-descriptor":[39],"linear":[40],"correlation":[41],"by":[42,64],"heuristic":[43],"method":[44],"(HM)":[45],"and":[46,79,91,107,122],"a":[47],"non-linear":[48],"model":[49,67,94],"using":[50],"radial":[51],"basis":[52],"function":[53],"neural":[54],"network":[55],"(RBFNN)":[56],"approach":[57],"reported.":[59],"The":[60],"statistical":[61],"parameters":[62],"provided":[63],"HM":[66],"(R":[68,95],"<sup":[69,81,96,109],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">2</sup>":[71,83,98,111],"=0.899":[72],"F=48.830,":[73],"RMS=5.159":[74],"training":[77,105],"set":[78],"R":[80,108],"=0.897":[84],"F=70.025,":[85],"RMS=4.143":[86],"test":[89,117],"set)":[90,118],"RBFNN":[93],"=0.926,":[99],"F=475.097,":[100],"RMS":[101],"=4.010":[102],"set,":[106],"=0.801,":[112],"F=32.108,":[113],"RMS=6.729":[114],"indicated":[119],"satisfactory":[120],"stability":[121],"ability.":[124]},"counts_by_year":[{"year":2014,"cited_by_count":1}],"updated_date":"2026-06-26T08:34:08.712188","created_date":"2025-10-10T00:00:00"}
