{"id":"https://openalex.org/W2391912908","doi":null,"title":"QSPR study on boiling point of fatty alcohol","display_name":"QSPR study on boiling point of fatty alcohol","publication_year":2006,"publication_date":"2006-01-01","ids":{"openalex":"https://openalex.org/W2391912908","mag":"2391912908"},"language":"en","primary_location":{"id":"mag:2391912908","doi":null,"is_oa":false,"landing_page_url":"https://en.cnki.com.cn/Article_en/CJFDTOTAL-NHXB200606021.htm","pdf_url":null,"source":{"id":"https://openalex.org/S2764417537","display_name":"Journal of Nanjing University of Technology","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4360969393","host_organization_name":"Nanjing Tech University","host_organization_lineage":["https://openalex.org/P4360969393"],"host_organization_lineage_names":["Nanjing Tech University"],"type":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"Journal of Nanjing University of Technology","raw_type":null},"volume":null,"type":"article","is_traditional":true,"indexed_in":[],"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/A5100602675","display_name":"Yan Chen","orcid":"https://orcid.org/0000-0002-9494-4445","observed_orcids":["https://orcid.org/0000-0002-9494-4445"]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Yan Chen","raw_affiliation_strings":["Department of Chemistry,Xuzhou Education College,Xuzhou 221006,China)"],"raw_orcid":"https://orcid.org/0000-0002-9494-4445","affiliations":[{"raw_affiliation_string":"Department of Chemistry,Xuzhou Education College,Xuzhou 221006,China)","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5100602675"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11476","display_name":"Graph theory and applications","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/2607","display_name":"Discrete Mathematics and Combinatorics"},"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":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/2607","display_name":"Discrete Mathematics and Combinatorics"},"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/T12852","display_name":"Chemical Thermodynamics and Molecular Structure","score":0.0003000000142492354,"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":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/fatty-alcohols","display_name":"fatty alcohols","score":0.9850000143051147},{"id":"https://openalex.org/keywords/boiling-point-prediction","display_name":"boiling point prediction","score":0.8970000147819519},{"id":"https://openalex.org/keywords/quantitative-structure-property-relationship","display_name":"QSPR","score":0.8880000114440918},{"id":"https://openalex.org/keywords/connectivity-index","display_name":"connectivity index","score":0.8690000176429749},{"id":"https://openalex.org/keywords/carbon-chain-length","display_name":"carbon chain length","score":0.3700000047683716},{"id":"https://openalex.org/keywords/hydroxyl-group-effect","display_name":"hydroxyl group effect","score":0.6119999885559082},{"id":"https://openalex.org/keywords/structure-property-relationships","display_name":"structure-property relationships","score":0.5529999732971191}],"concepts":[{"id":"https://openalex.org/C188596812","wikidata":"https://www.wikidata.org/wiki/Q1003183","display_name":"Boiling point","level":2,"score":0.8914908170700073},{"id":"https://openalex.org/C2779704304","wikidata":"https://www.wikidata.org/wiki/Q378871","display_name":"Fatty alcohol","level":2,"score":0.6142968535423279},{"id":"https://openalex.org/C2781066024","wikidata":"https://www.wikidata.org/wiki/Q156","display_name":"Alcohol","level":2,"score":0.5512970089912415},{"id":"https://openalex.org/C2776640939","wikidata":"https://www.wikidata.org/wiki/Q6643508","display_name":"Hydrogen atom","level":3,"score":0.5097662806510925},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.47538483142852783},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.4527008533477783},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4410783350467682},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.4133051037788391},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.39284852147102356},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.24461087584495544},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.16353663802146912},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0},{"id":"https://openalex.org/C2780263894","wikidata":"https://www.wikidata.org/wiki/Q335268","display_name":"Alkyl","level":2,"score":0.0},{"id":"https://openalex.org/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"mag:2391912908","doi":null,"is_oa":false,"landing_page_url":"https://en.cnki.com.cn/Article_en/CJFDTOTAL-NHXB200606021.htm","pdf_url":null,"source":{"id":"https://openalex.org/S2764417537","display_name":"Journal of Nanjing University of Technology","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4360969393","host_organization_name":"Nanjing Tech University","host_organization_lineage":["https://openalex.org/P4360969393"],"host_organization_lineage_names":["Nanjing Tech University"],"type":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"Journal of Nanjing University of Technology","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2371232392","https://openalex.org/W2380096606","https://openalex.org/W2471054997","https://openalex.org/W2364609300","https://openalex.org/W2376499123","https://openalex.org/W7095596435","https://openalex.org/W2372037038","https://openalex.org/W2385742755","https://openalex.org/W2184365788","https://openalex.org/W2366257766"],"abstract_inverted_index":{"Replacing":[0],"the":[1,19,22,26,30,45,52,67,94,111],"oxygen":[2],"atom":[3],"of":[4,10,29,47,69,97,114],"alcohol":[5],"with":[6,12,63,93,101],"carbon":[7],"atom,a":[8],"kind":[9],"molecule":[11],"little":[13],"polarity":[14],"was":[15,36,58,79],"formed,whose":[16],"structure":[17],"is":[18],"same":[20],"as":[21,81],"original":[23],"compound.According":[24],"to":[25,71,109],"peak":[27],"numbers":[28],"nuclear":[31],"magnetic":[32],"resonance,A":[33],"characteristic":[34],"value(t_(i))":[35],"defined":[37],"as:":[38],"t_(i)":[39],"=1+":[40],"\u2211h_(ij),in":[41],"which":[42],"h":[43],"indicates":[44],"number":[46],"hydrogen":[48],"atoms,and":[49],"based":[50],"on":[51],"adjacent":[53],"matrix,the":[54],"connection":[55],"index":[56,78],"~(m)T":[57,61],"set":[59],"up:":[60],"=\u2211((t_(i)\u00b7t_(j)\u00b7t_(k)\u00b7\u2026))~(0.5)":[62],"~(0)T":[64,84],"=\u2211(t_(i))":[65],"~(0.5).Considering":[66],"influence":[68],"\u2014OH":[70],"fatty":[72,99,115],"alcohols":[73,100],"boiling":[74,95,112],"point,a":[75],"novel":[76],"connectivity":[77],"built":[80],"T":[82],"=":[83],"+(\u03b4-1)~(0.5).T":[85],"and":[86],"distance":[87],"parameter":[88],"L":[89],"have":[90],"good":[91],"correlation":[92],"points":[96],"119":[98],"R=(0.995":[102],"2).The":[103],"model":[104],"provides":[105],"a":[106],"effective":[107],"method":[108],"forecast":[110],"point":[113],"alcohols.":[116]},"counts_by_year":[],"updated_date":"2025-10-10T17:16:08.811792","created_date":"2016-06-24T00:00:00"}
