{"id":"https://openalex.org/W2125060199","doi":"https://doi.org/10.1021/ci0103267","title":"Fuzzy ARTMAP and Back-Propagation Neural Networks Based Quantitative Structure\u2212Property Relationships (QSPRs) for Octanol\u2212Water Partition Coefficient of Organic Compounds","display_name":"Fuzzy ARTMAP and Back-Propagation Neural Networks Based Quantitative Structure\u2212Property Relationships (QSPRs) for Octanol\u2212Water Partition Coefficient of Organic Compounds","publication_year":2002,"publication_date":"2002-02-26","ids":{"openalex":"https://openalex.org/W2125060199","doi":"https://doi.org/10.1021/ci0103267","mag":"2125060199","pmid":"https://pubmed.ncbi.nlm.nih.gov/11911684"},"language":"en","primary_location":{"id":"doi:10.1021/ci0103267","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci0103267","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","pubmed"],"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/A5111960835","display_name":"Denise Yaffe","orcid":null},"institutions":[{"id":"https://openalex.org/I55952717","display_name":"Universidad Rovira i Virgili","ror":"https://ror.org/00g5sqv46","country_code":"ES","type":"education","lineage":["https://openalex.org/I55952717"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Denise Yaffe","raw_affiliation_strings":["Department of Chemical Engineering, University of California, Los Angeles, Los Angeles, California 90095-1592, and Departament d'Enginyeria Qu\u00edmica, ETSEQ, and Departament d'Enginyeria Inform\u00e0tica, ETSE, Universitat Rovira i Virgili, 43006 Tarragona, Catalunya, Spain"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, University of California, Los Angeles, Los Angeles, California 90095-1592, and Departament d'Enginyeria Qu\u00edmica, ETSEQ, and Departament d'Enginyeria Inform\u00e0tica, ETSE, Universitat Rovira i Virgili, 43006 Tarragona, Catalunya, Spain","institution_ids":["https://openalex.org/I55952717"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059913443","display_name":"Yoram Cohen","orcid":"https://orcid.org/0000-0002-0756-4699"},"institutions":[{"id":"https://openalex.org/I55952717","display_name":"Universidad Rovira i Virgili","ror":"https://ror.org/00g5sqv46","country_code":"ES","type":"education","lineage":["https://openalex.org/I55952717"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Yoram Cohen","raw_affiliation_strings":["Department of Chemical Engineering, University of California, Los Angeles, Los Angeles, California 90095-1592, and Departament d'Enginyeria Qu\u00edmica, ETSEQ, and Departament d'Enginyeria Inform\u00e0tica, ETSE, Universitat Rovira i Virgili, 43006 Tarragona, Catalunya, Spain"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, University of California, Los Angeles, Los Angeles, California 90095-1592, and Departament d'Enginyeria Qu\u00edmica, ETSEQ, and Departament d'Enginyeria Inform\u00e0tica, ETSE, Universitat Rovira i Virgili, 43006 Tarragona, Catalunya, Spain","institution_ids":["https://openalex.org/I55952717"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080589703","display_name":"Gabriela Espinosa","orcid":"https://orcid.org/0009-0005-7138-5627"},"institutions":[{"id":"https://openalex.org/I55952717","display_name":"Universidad Rovira i Virgili","ror":"https://ror.org/00g5sqv46","country_code":"ES","type":"education","lineage":["https://openalex.org/I55952717"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Gabriela Espinosa","raw_affiliation_strings":["Department of Chemical Engineering, University of California, Los Angeles, Los Angeles, California 90095-1592, and Departament d'Enginyeria Qu\u00edmica, ETSEQ, and Departament d'Enginyeria Inform\u00e0tica, ETSE, Universitat Rovira i Virgili, 43006 Tarragona, Catalunya, Spain"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, University of California, Los Angeles, Los Angeles, California 90095-1592, and Departament d'Enginyeria Qu\u00edmica, ETSEQ, and Departament d'Enginyeria Inform\u00e0tica, ETSE, Universitat Rovira i Virgili, 43006 Tarragona, Catalunya, Spain","institution_ids":["https://openalex.org/I55952717"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027588100","display_name":"\u00c0lex Arenas","orcid":"https://orcid.org/0000-0003-0937-0334"},"institutions":[{"id":"https://openalex.org/I55952717","display_name":"Universidad Rovira i Virgili","ror":"https://ror.org/00g5sqv46","country_code":"ES","type":"education","lineage":["https://openalex.org/I55952717"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Alex Arenas","raw_affiliation_strings":["Department of Chemical Engineering, University of California, Los Angeles, Los Angeles, California 90095-1592, and Departament d'Enginyeria Qu\u00edmica, ETSEQ, and Departament d'Enginyeria Inform\u00e0tica, ETSE, Universitat Rovira i Virgili, 43006 Tarragona, Catalunya, Spain"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, University of California, Los Angeles, Los Angeles, California 90095-1592, and Departament d'Enginyeria Qu\u00edmica, ETSEQ, and Departament d'Enginyeria Inform\u00e0tica, ETSE, Universitat Rovira i Virgili, 43006 Tarragona, Catalunya, Spain","institution_ids":["https://openalex.org/I55952717"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5038131084","display_name":"Francesc Giralt","orcid":"https://orcid.org/0000-0001-5375-3194"},"institutions":[{"id":"https://openalex.org/I55952717","display_name":"Universidad Rovira i Virgili","ror":"https://ror.org/00g5sqv46","country_code":"ES","type":"education","lineage":["https://openalex.org/I55952717"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Francesc Giralt","raw_affiliation_strings":["Department of Chemical Engineering, University of California, Los Angeles, Los Angeles, California 90095-1592, and Departament d'Enginyeria Qu\u00edmica, ETSEQ, and Departament d'Enginyeria Inform\u00e0tica, ETSE, Universitat Rovira i Virgili, 43006 Tarragona, Catalunya, Spain"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, University of California, Los Angeles, Los Angeles, California 90095-1592, and Departament d'Enginyeria Qu\u00edmica, ETSEQ, and Departament d'Enginyeria Inform\u00e0tica, ETSE, Universitat Rovira i Virgili, 43006 Tarragona, Catalunya, Spain","institution_ids":["https://openalex.org/I55952717"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5111960835"],"corresponding_institution_ids":["https://openalex.org/I55952717"],"apc_list":null,"apc_paid":null,"fwci":2.0997,"has_fulltext":false,"cited_by_count":43,"citation_normalized_percentile":{"value":0.87779034,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"42","issue":"2","first_page":"162","last_page":"183"},"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":0.9976999759674072,"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9927999973297119,"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/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.8573155999183655},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.6939131021499634},{"id":"https://openalex.org/keywords/partition-coefficient","display_name":"Partition coefficient","score":0.6900069713592529},{"id":"https://openalex.org/keywords/polarizability","display_name":"Polarizability","score":0.6604645848274231},{"id":"https://openalex.org/keywords/molecular-descriptor","display_name":"Molecular descriptor","score":0.6568857431411743},{"id":"https://openalex.org/keywords/logarithm","display_name":"Logarithm","score":0.495760053396225},{"id":"https://openalex.org/keywords/test-set","display_name":"Test set","score":0.4861742854118347},{"id":"https://openalex.org/keywords/octanol","display_name":"Octanol","score":0.4628436267375946},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.44653382897377014},{"id":"https://openalex.org/keywords/backpropagation","display_name":"Backpropagation","score":0.44257697463035583},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.43303531408309937},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.38770461082458496},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.31541550159454346},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.2116377353668213},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.18589970469474792},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.17372307181358337},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.13313671946525574},{"id":"https://openalex.org/keywords/mathematical-analysis","display_name":"Mathematical analysis","score":0.11277508735656738},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.09410625696182251}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.8573155999183655},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.6939131021499634},{"id":"https://openalex.org/C192552737","wikidata":"https://www.wikidata.org/wiki/Q898797","display_name":"Partition coefficient","level":2,"score":0.6900069713592529},{"id":"https://openalex.org/C139287275","wikidata":"https://www.wikidata.org/wiki/Q869891","display_name":"Polarizability","level":3,"score":0.6604645848274231},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.6568857431411743},{"id":"https://openalex.org/C39927690","wikidata":"https://www.wikidata.org/wiki/Q11197","display_name":"Logarithm","level":2,"score":0.495760053396225},{"id":"https://openalex.org/C169903167","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Test set","level":2,"score":0.4861742854118347},{"id":"https://openalex.org/C2776226600","wikidata":"https://www.wikidata.org/wiki/Q6048561","display_name":"Octanol","level":3,"score":0.4628436267375946},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.44653382897377014},{"id":"https://openalex.org/C155032097","wikidata":"https://www.wikidata.org/wiki/Q798503","display_name":"Backpropagation","level":3,"score":0.44257697463035583},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.43303531408309937},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.38770461082458496},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.31541550159454346},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.2116377353668213},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.18589970469474792},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.17372307181358337},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.13313671946525574},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.11277508735656738},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.09410625696182251},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D000442","descriptor_name":"Octanols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000442","descriptor_name":"Octanols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000442","descriptor_name":"Octanols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009930","descriptor_name":"Organic Chemicals","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009930","descriptor_name":"Organic Chemicals","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009930","descriptor_name":"Organic Chemicals","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017143","descriptor_name":"Fuzzy Logic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017143","descriptor_name":"Fuzzy Logic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017143","descriptor_name":"Fuzzy Logic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/ci0103267","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci0103267","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"},{"id":"pmid:11911684","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/11911684","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"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":null},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.546.4137","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.546.4137","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://deim.urv.cat/~aarenas/publicacions/pdf/jcics02a.pdf","raw_type":"text"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.6700000166893005,"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":64,"referenced_works":["https://openalex.org/W142069827","https://openalex.org/W1480856519","https://openalex.org/W1483464737","https://openalex.org/W1488799823","https://openalex.org/W1501372585","https://openalex.org/W1570664003","https://openalex.org/W1585772109","https://openalex.org/W1591353209","https://openalex.org/W1964738974","https://openalex.org/W1968756812","https://openalex.org/W1973428197","https://openalex.org/W1974842440","https://openalex.org/W1976427408","https://openalex.org/W1978359635","https://openalex.org/W1987749240","https://openalex.org/W1991292463","https://openalex.org/W1999380480","https://openalex.org/W2000005919","https://openalex.org/W2012611887","https://openalex.org/W2016883812","https://openalex.org/W2018070595","https://openalex.org/W2033400208","https://openalex.org/W2039265168","https://openalex.org/W2045193322","https://openalex.org/W2051504418","https://openalex.org/W2061571816","https://openalex.org/W2062292120","https://openalex.org/W2067468321","https://openalex.org/W2076560110","https://openalex.org/W2077973224","https://openalex.org/W2079444823","https://openalex.org/W2080018401","https://openalex.org/W2084277682","https://openalex.org/W2088157201","https://openalex.org/W2088735531","https://openalex.org/W2099105964","https://openalex.org/W2106304233","https://openalex.org/W2118237959","https://openalex.org/W2120254941","https://openalex.org/W2123306837","https://openalex.org/W2127336290","https://openalex.org/W2132152975","https://openalex.org/W2133679578","https://openalex.org/W2134289054","https://openalex.org/W2140716723","https://openalex.org/W2144219012","https://openalex.org/W2146725859","https://openalex.org/W2147816192","https://openalex.org/W2158238012","https://openalex.org/W2166280719","https://openalex.org/W2169356542","https://openalex.org/W2213591582","https://openalex.org/W2318794083","https://openalex.org/W2332734511","https://openalex.org/W2466152945","https://openalex.org/W2475624382","https://openalex.org/W2604060680","https://openalex.org/W3008337080","https://openalex.org/W3142152711","https://openalex.org/W4206507674","https://openalex.org/W4231061463","https://openalex.org/W4245271590","https://openalex.org/W4375845060","https://openalex.org/W6600007778"],"related_works":["https://openalex.org/W2061099817","https://openalex.org/W3152149308","https://openalex.org/W2094814511","https://openalex.org/W2033669961","https://openalex.org/W2005331435","https://openalex.org/W3003573373","https://openalex.org/W2049271093","https://openalex.org/W3207991896","https://openalex.org/W3039863872","https://openalex.org/W1963669049"],"abstract_inverted_index":{"Quantitative":[0],"structure-property":[1],"relationships":[2],"(QSPRs)":[3],"for":[4,79,96,109,125],"estimating":[5],"the":[6,97,110,126,134,144,169],"logarithm":[7],"octanol/water":[8],"partition":[9],"coefficients,":[10],"logK(ow),":[11,114],"at":[12],"25":[13],"degrees":[14],"C":[15],"were":[16,39],"developed":[17],"based":[18],"on":[19],"fuzzy":[20,76,145],"ARTMAP":[21],"and":[22,45,72,93,100,122,128,150],"back-propagation":[23],"neural":[24],"networks":[25],"using":[26],"a":[27,80,159,175],"heterogeneous":[28,177],"set":[29,35],"of":[30,36,83,91,113,120,137,162],"442":[31],"organic":[32],"compounds.":[33],"The":[34,75,104,140],"molecular":[37,42],"descriptors":[38,48,57],"derived":[40],"from":[41,50],"connectivity":[43],"indices":[44],"quantum":[46],"chemical":[47,55,163],"calculated":[49],"PM3":[51],"semiempirical":[52],"MO-theory.":[53],"Quantum":[54],"input":[56],"include":[58],"average":[59,88,117],"polarizability,":[60],"dipole":[61],"moments,":[62],"exchange":[63],"energy,":[64,68,71],"total":[65,69],"electrostatic":[66],"interaction":[67],"two-center":[70],"ionization":[73],"potential.":[74],"ARTMAP/QSPR":[77],"performed,":[78],"logK(ow)":[81,95,124,138,155],"range":[82,112,136,161],"-1.6":[84],"to":[85],"7.9,":[86],"with":[87,143,174],"absolute":[89,118],"errors":[90,119],"0.03":[92],"0.14":[94],"overall":[98],"data":[99,130,178],"test":[101,127],"sets,":[102,131],"respectively.":[103],"optimal":[105],"12-11-1":[106],"back-propagation/QSPR":[107],"model,":[108],"same":[111,135],"exhibited":[115],"larger":[116,176],"0.23":[121],"0.27":[123],"validation":[129],"respectively,":[132],"over":[133],"values.":[139],"present":[141,170],"results":[142],"ARTMAP-based":[146],"QSPR":[147,156],"are":[148],"encouraging":[149],"suggest":[151],"that":[152,157],"high":[153],"performance":[154],"encompasses":[158],"wider":[160],"groups":[164],"could":[165],"be":[166],"developed,":[167],"following":[168],"approach,":[171],"by":[172],"training":[173],"set.":[179]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":2},{"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":"2026-04-05T17:49:38.594831","created_date":"2025-10-10T00:00:00"}