{"id":"https://openalex.org/W2138678436","doi":"https://doi.org/10.1021/ci980117v","title":"Estimation of the Liquid Viscosity of Organic Compounds with a Quantitative Structure\u2212Property Model","display_name":"Estimation of the Liquid Viscosity of Organic Compounds with a Quantitative Structure\u2212Property Model","publication_year":1999,"publication_date":"1999-03-31","ids":{"openalex":"https://openalex.org/W2138678436","doi":"https://doi.org/10.1021/ci980117v","mag":"2138678436"},"language":"en","primary_location":{"id":"doi:10.1021/ci980117v","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci980117v","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/A5006473765","display_name":"Ovidiu Ivanciuc","orcid":null},"institutions":[{"id":"https://openalex.org/I58077936","display_name":"Romanian Academy","ror":"https://ror.org/0561n6946","country_code":"RO","type":"archive","lineage":["https://openalex.org/I58077936"]}],"countries":["RO"],"is_corresponding":true,"raw_author_name":"Ovidiu Ivanciuc","raw_affiliation_strings":["Department of Organic Chemistry, Faculty of Chemical Technology, University \u201cPolitehnica\u201d of Bucharest, Oficiul 12 CP 243, 77206 Bucharest, Romania, Institute of Organic Chemistry, Romanian Academy, Splaiul Independentei 202B, 71141 Bucharest, Romania, and GRECFO\u2212LARTIC, University of NiceSophia Antipolis, Parc Valrose, 06108 Nice Cedex, France"],"affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry, Faculty of Chemical Technology, University \u201cPolitehnica\u201d of Bucharest, Oficiul 12 CP 243, 77206 Bucharest, Romania, Institute of Organic Chemistry, Romanian Academy, Splaiul Independentei 202B, 71141 Bucharest, Romania, and GRECFO\u2212LARTIC, University of NiceSophia Antipolis, Parc Valrose, 06108 Nice Cedex, France","institution_ids":["https://openalex.org/I58077936"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056114730","display_name":"Teodora Ivanciuc","orcid":null},"institutions":[{"id":"https://openalex.org/I58077936","display_name":"Romanian Academy","ror":"https://ror.org/0561n6946","country_code":"RO","type":"archive","lineage":["https://openalex.org/I58077936"]}],"countries":["RO"],"is_corresponding":false,"raw_author_name":"Teodora Ivanciuc","raw_affiliation_strings":["Department of Organic Chemistry, Faculty of Chemical Technology, University \u201cPolitehnica\u201d of Bucharest, Oficiul 12 CP 243, 77206 Bucharest, Romania, Institute of Organic Chemistry, Romanian Academy, Splaiul Independentei 202B, 71141 Bucharest, Romania, and GRECFO\u2212LARTIC, University of NiceSophia Antipolis, Parc Valrose, 06108 Nice Cedex, France"],"affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry, Faculty of Chemical Technology, University \u201cPolitehnica\u201d of Bucharest, Oficiul 12 CP 243, 77206 Bucharest, Romania, Institute of Organic Chemistry, Romanian Academy, Splaiul Independentei 202B, 71141 Bucharest, Romania, and GRECFO\u2212LARTIC, University of NiceSophia Antipolis, Parc Valrose, 06108 Nice Cedex, France","institution_ids":["https://openalex.org/I58077936"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087352504","display_name":"Petru Filip","orcid":"https://orcid.org/0000-0003-2076-7244"},"institutions":[{"id":"https://openalex.org/I58077936","display_name":"Romanian Academy","ror":"https://ror.org/0561n6946","country_code":"RO","type":"archive","lineage":["https://openalex.org/I58077936"]}],"countries":["RO"],"is_corresponding":false,"raw_author_name":"Petru A. Filip","raw_affiliation_strings":["Department of Organic Chemistry, Faculty of Chemical Technology, University \u201cPolitehnica\u201d of Bucharest, Oficiul 12 CP 243, 77206 Bucharest, Romania, Institute of Organic Chemistry, Romanian Academy, Splaiul Independentei 202B, 71141 Bucharest, Romania, and GRECFO\u2212LARTIC, University of NiceSophia Antipolis, Parc Valrose, 06108 Nice Cedex, France"],"affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry, Faculty of Chemical Technology, University \u201cPolitehnica\u201d of Bucharest, Oficiul 12 CP 243, 77206 Bucharest, Romania, Institute of Organic Chemistry, Romanian Academy, Splaiul Independentei 202B, 71141 Bucharest, Romania, and GRECFO\u2212LARTIC, University of NiceSophia Antipolis, Parc Valrose, 06108 Nice Cedex, France","institution_ids":["https://openalex.org/I58077936"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5040646066","display_name":"Daniel Cabrol\u2010Bass","orcid":null},"institutions":[{"id":"https://openalex.org/I58077936","display_name":"Romanian Academy","ror":"https://ror.org/0561n6946","country_code":"RO","type":"archive","lineage":["https://openalex.org/I58077936"]}],"countries":["RO"],"is_corresponding":false,"raw_author_name":"Daniel Cabrol-Bass","raw_affiliation_strings":["Department of Organic Chemistry, Faculty of Chemical Technology, University \u201cPolitehnica\u201d of Bucharest, Oficiul 12 CP 243, 77206 Bucharest, Romania, Institute of Organic Chemistry, Romanian Academy, Splaiul Independentei 202B, 71141 Bucharest, Romania, and GRECFO\u2212LARTIC, University of NiceSophia Antipolis, Parc Valrose, 06108 Nice Cedex, France"],"affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry, Faculty of Chemical Technology, University \u201cPolitehnica\u201d of Bucharest, Oficiul 12 CP 243, 77206 Bucharest, Romania, Institute of Organic Chemistry, Romanian Academy, Splaiul Independentei 202B, 71141 Bucharest, Romania, and GRECFO\u2212LARTIC, University of NiceSophia Antipolis, Parc Valrose, 06108 Nice Cedex, France","institution_ids":["https://openalex.org/I58077936"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5006473765"],"corresponding_institution_ids":["https://openalex.org/I58077936"],"apc_list":null,"apc_paid":null,"fwci":4.237,"has_fulltext":false,"cited_by_count":52,"citation_normalized_percentile":{"value":0.94463699,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"39","issue":"3","first_page":"515","last_page":"524"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9997000098228455,"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":0.9997000098228455,"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/T13013","display_name":"Free Radicals and Antioxidants","score":0.9965999722480774,"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/T12852","display_name":"Chemical Thermodynamics and Molecular Structure","score":0.9947999715805054,"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/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.9168624877929688},{"id":"https://openalex.org/keywords/multilinear-map","display_name":"Multilinear map","score":0.7035152316093445},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6513916254043579},{"id":"https://openalex.org/keywords/calibration","display_name":"Calibration","score":0.6072702407836914},{"id":"https://openalex.org/keywords/molecular-descriptor","display_name":"Molecular descriptor","score":0.5855265855789185},{"id":"https://openalex.org/keywords/linear-regression","display_name":"Linear regression","score":0.5096874237060547},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.5075753927230835},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.44267791509628296},{"id":"https://openalex.org/keywords/topological-index","display_name":"Topological index","score":0.4156915545463562},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.36274367570877075},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.29313647747039795},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.16221237182617188},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.14042586088180542},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.13324037194252014},{"id":"https://openalex.org/keywords/pure-mathematics","display_name":"Pure mathematics","score":0.07327929139137268}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.9168624877929688},{"id":"https://openalex.org/C84392682","wikidata":"https://www.wikidata.org/wiki/Q1952404","display_name":"Multilinear map","level":2,"score":0.7035152316093445},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6513916254043579},{"id":"https://openalex.org/C165838908","wikidata":"https://www.wikidata.org/wiki/Q736777","display_name":"Calibration","level":2,"score":0.6072702407836914},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.5855265855789185},{"id":"https://openalex.org/C48921125","wikidata":"https://www.wikidata.org/wiki/Q10861030","display_name":"Linear regression","level":2,"score":0.5096874237060547},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.5075753927230835},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.44267791509628296},{"id":"https://openalex.org/C159867001","wikidata":"https://www.wikidata.org/wiki/Q904942","display_name":"Topological index","level":2,"score":0.4156915545463562},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.36274367570877075},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.29313647747039795},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.16221237182617188},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.14042586088180542},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.13324037194252014},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.07327929139137268},{"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/ci980117v","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci980117v","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":[{"display_name":"Peace, Justice and strong institutions","id":"https://metadata.un.org/sdg/16","score":0.5699999928474426}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":47,"referenced_works":["https://openalex.org/W1607549418","https://openalex.org/W1980019773","https://openalex.org/W1990388290","https://openalex.org/W2000730732","https://openalex.org/W2002189424","https://openalex.org/W2002816969","https://openalex.org/W2002817195","https://openalex.org/W2009753156","https://openalex.org/W2010304681","https://openalex.org/W2014141052","https://openalex.org/W2015870870","https://openalex.org/W2024044281","https://openalex.org/W2025150774","https://openalex.org/W2026545510","https://openalex.org/W2031494703","https://openalex.org/W2037617579","https://openalex.org/W2040248767","https://openalex.org/W2040459007","https://openalex.org/W2046841137","https://openalex.org/W2052226480","https://openalex.org/W2055971808","https://openalex.org/W2056139823","https://openalex.org/W2060336576","https://openalex.org/W2066264901","https://openalex.org/W2067966362","https://openalex.org/W2070955875","https://openalex.org/W2071158076","https://openalex.org/W2074624660","https://openalex.org/W2075613930","https://openalex.org/W2077973224","https://openalex.org/W2078962059","https://openalex.org/W2086936642","https://openalex.org/W2089225915","https://openalex.org/W2090424742","https://openalex.org/W2103100304","https://openalex.org/W2105785414","https://openalex.org/W2107114161","https://openalex.org/W2140673614","https://openalex.org/W2146178879","https://openalex.org/W2152121191","https://openalex.org/W2162517024","https://openalex.org/W2171263422","https://openalex.org/W2315911157","https://openalex.org/W2324764763","https://openalex.org/W2950180815","https://openalex.org/W2985068458","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2066636365","https://openalex.org/W2188147464","https://openalex.org/W1979687575","https://openalex.org/W2388850453","https://openalex.org/W1964811019","https://openalex.org/W4313493531","https://openalex.org/W1518515965","https://openalex.org/W3159291941","https://openalex.org/W2063120953","https://openalex.org/W2955088215"],"abstract_inverted_index":{"A":[0],"QSPR":[1,73,121,167],"(quantitative":[2],"structure\u2212property":[3],"relationship)":[4],"model":[5,35,74,110,122,141],"for":[6,27,94,133],"the":[7,10,23,72,108,114,120,140,157,176],"estimation":[8],"of":[9,13,17,81,107,175,179],"liquid":[11,177],"viscosity":[12,178],"a":[14,39,95,148],"large":[15],"variety":[16],"organic":[18,180],"compounds":[19,134,181],"was":[20,36,111],"established":[21],"using":[22,182],"CODESSA":[24,171],"(comprehensive":[25],"descriptors":[26,57,185],"structural":[28],"and":[29,62,98,125,186],"statistical":[30,145],"analysis)":[31],"approach.":[32],"The":[33,45,66,104,143,166],"final":[34],"developed":[37,169],"with":[38,153,170,193],"calibration":[40,158],"set":[41],"containing":[42],"337":[43],"compounds.":[44],"multilinear":[46],"regression":[47],"(MLR)":[48],"equation":[49],"that":[50,119,135],"relates":[51],"ln":[52],"\u03b7":[53],"to":[54,129],"five":[55,67],"molecular":[56,76],"has":[58],"s":[59],"=":[60,64,161,164],"0.37":[61],"r":[63],"0.920.":[65],"theoretical":[68],"parameters":[69],"used":[70,128,138],"in":[71,139,156],"are":[75],"weight,":[77],"Randi\u0107":[78],"connectivity":[79],"index":[80,93],"order":[82],"3,":[83],"hydrogen-donor":[84],"charged":[85],"surface":[86],"area":[87],"HDCA-2":[88],"(electrostatic),":[89],"maximum":[90,99],"electrophilic":[91],"reactivity":[92],"carbon":[96],"atom,":[97],"atomic":[100],"orbital":[101],"electronic":[102],"population.":[103],"predictive":[105],"ability":[106],"MLR":[109],"tested":[112],"by":[113],"leave-20%-out":[115],"cross-validation":[116,144],"method,":[117],"showing":[118],"is":[123],"stable":[124],"can":[126,190],"be":[127,191],"obtain":[130],"good":[131],"predictions":[132],"were":[136],"not":[137],"calibration.":[142],"indices":[146,188],"show":[147],"small":[149],"decrease":[150],"when":[151],"compared":[152],"those":[154],"obtained":[155],"phase":[159],"(scv":[160],"0.38,":[162],"rcv":[163],"0.917).":[165],"models":[168],"allow":[172],"accurate":[173],"computation":[174],"simple":[183],"constitutional":[184],"quantum":[187,195],"which":[189],"computed":[192],"standard":[194],"chemistry":[196],"packages.":[197]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":4}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
