{"id":"https://openalex.org/W2039565087","doi":"https://doi.org/10.1021/ci960158w","title":"The Use of the Ordered Orthogonalized Multivariate Linear Regression in a Structure\u2212Activity Study of Coumarin and Flavonoid Derivatives as Inhibitors of Aldose Reductase","display_name":"The Use of the Ordered Orthogonalized Multivariate Linear Regression in a Structure\u2212Activity Study of Coumarin and Flavonoid Derivatives as Inhibitors of Aldose Reductase","publication_year":1997,"publication_date":"1997-05-01","ids":{"openalex":"https://openalex.org/W2039565087","doi":"https://doi.org/10.1021/ci960158w","mag":"2039565087"},"language":"en","primary_location":{"id":"doi:10.1021/ci960158w","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci960158w","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/A5014867785","display_name":"Dragan Ami\u0107","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Dragan Ami\u0107","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024818458","display_name":"Du\u0161anka Davidovi\u0107-Ami\u0107","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Du\u0161anka Davidovi\u0107-Ami\u0107","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020429197","display_name":"Drago Be\u0161lo","orcid":"https://orcid.org/0000-0002-0601-3852"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Drago Be\u0161lo","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063584815","display_name":"Bono Lu\u010di\u0107","orcid":"https://orcid.org/0000-0001-7232-2007"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Bono Lu\u010di\u0107","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5008017709","display_name":"Nenad Trinajsti\u0107","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Nenad Trinajsti\u0107","raw_affiliation_strings":[],"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5014867785"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":1.6306,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.80227266,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"37","issue":"3","first_page":"581","last_page":"586"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.9973000288009644,"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":0.9973000288009644,"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":0.9847999811172485,"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/T10274","display_name":"Synthesis and biological activity","score":0.9732000231742859,"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/orthogonalization","display_name":"Orthogonalization","score":0.9619582295417786},{"id":"https://openalex.org/keywords/aldose-reductase","display_name":"Aldose reductase","score":0.7541869282722473},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.7243232727050781},{"id":"https://openalex.org/keywords/molecular-descriptor","display_name":"Molecular descriptor","score":0.7142766714096069},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.5168731212615967},{"id":"https://openalex.org/keywords/linear-regression","display_name":"Linear regression","score":0.5161186456680298},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4917052388191223},{"id":"https://openalex.org/keywords/multivariate-statistics","display_name":"Multivariate statistics","score":0.462552011013031},{"id":"https://openalex.org/keywords/principal-component-analysis","display_name":"Principal component analysis","score":0.4401063919067383},{"id":"https://openalex.org/keywords/loo","display_name":"Loo","score":0.4139372408390045},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.26563355326652527},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.1666131317615509},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.12995010614395142},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.07077834010124207}],"concepts":[{"id":"https://openalex.org/C47559304","wikidata":"https://www.wikidata.org/wiki/Q1702189","display_name":"Orthogonalization","level":2,"score":0.9619582295417786},{"id":"https://openalex.org/C2776439734","wikidata":"https://www.wikidata.org/wiki/Q414213","display_name":"Aldose reductase","level":3,"score":0.7541869282722473},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.7243232727050781},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.7142766714096069},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.5168731212615967},{"id":"https://openalex.org/C48921125","wikidata":"https://www.wikidata.org/wiki/Q10861030","display_name":"Linear regression","level":2,"score":0.5161186456680298},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4917052388191223},{"id":"https://openalex.org/C161584116","wikidata":"https://www.wikidata.org/wiki/Q1952580","display_name":"Multivariate statistics","level":2,"score":0.462552011013031},{"id":"https://openalex.org/C27438332","wikidata":"https://www.wikidata.org/wiki/Q2873","display_name":"Principal component analysis","level":2,"score":0.4401063919067383},{"id":"https://openalex.org/C125453309","wikidata":"https://www.wikidata.org/wiki/Q3045008","display_name":"Loo","level":3,"score":0.4139372408390045},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.26563355326652527},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.1666131317615509},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.12995010614395142},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.07077834010124207},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ci960158w","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci960158w","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":"Reduced inequalities","id":"https://metadata.un.org/sdg/10","score":0.8399999737739563}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":21,"referenced_works":["https://openalex.org/W597121318","https://openalex.org/W1488799823","https://openalex.org/W1966460552","https://openalex.org/W1976477398","https://openalex.org/W1990142944","https://openalex.org/W2024012362","https://openalex.org/W2033997871","https://openalex.org/W2039115551","https://openalex.org/W2046581631","https://openalex.org/W2052875009","https://openalex.org/W2056179845","https://openalex.org/W2060907307","https://openalex.org/W2067091680","https://openalex.org/W2076274021","https://openalex.org/W2089447165","https://openalex.org/W2091670340","https://openalex.org/W2328628169","https://openalex.org/W2409065277","https://openalex.org/W3142152711","https://openalex.org/W4205469314","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2108921874","https://openalex.org/W2951860463","https://openalex.org/W2023531555","https://openalex.org/W2060665998","https://openalex.org/W2112497287","https://openalex.org/W2109886337","https://openalex.org/W2762153840","https://openalex.org/W1518515965","https://openalex.org/W4312967168","https://openalex.org/W2045015156"],"abstract_inverted_index":{"The":[0,102],"relationship":[1],"between":[2],"molecular":[3],"descriptors":[4,44,55,96,118],"and":[5,18,129,177,194,199],"the":[6,32,40,48,65,68,73,76,81,125,135,139,149,155,165,188],"inhibitory":[7,189,208],"activity":[8,190],"of":[9,16,42,75,90,94,100,123,142],"aldose":[10],"reductase":[11],"(AR)":[12],"for":[13,191],"a":[14,25,91,205],"series":[15],"coumarin":[17],"flavonoid":[19],"derivatives":[20],"has":[21],"been":[22],"investigated":[23],"using":[24],"novel":[26],"multivariate":[27],"linear":[28],"regression":[29],"based":[30],"on":[31,169,178],"ordered":[33,116,166],"orthogonalized":[34,117],"descriptor":[35],"set.":[36],"First,":[37],"starting":[38],"from":[39],"set":[41,93,171],"31":[43],"we":[45,84,157],"produced":[46,158],"absolutely":[47],"best":[49],"nonorthogonalized":[50,143],"QSAR":[51,112],"models":[52,60,66,113,137,160],"with":[53,114,138,172,181,204],"I":[54,115],"(I":[56],"=":[57,175,184],"1\u22127).":[58],"These":[59],"are":[61,98],"always":[62],"better":[63],"than":[64,134],"that":[67,106,119,161],"most":[69],"authors":[70],"achieve":[71,148],"by":[72],"use":[74],"stepwise":[77],"inclusion-exclusion":[78],"procedure.":[79],"In":[80,145],"next":[82],"step":[83],"realized":[85],"all":[86],"possible":[87,151],"orthogonalization":[88,108,167],"orderings":[89,109],"given":[92],"N":[95],"(there":[97],"N!":[99],"these).":[101],"key":[103],"result":[104],"is":[105],"some":[107],"lead":[110],"to":[111,147],"have":[120],"higher":[121],"values":[122],"both":[124],"correlation":[126,131],"coefficient":[127,132],"R":[128],"cross-validated":[130],"Rcv":[133],"corresponding":[136],"same":[140],"number":[141],"descriptors.":[144,186],"order":[146],"highest":[150],"reliability":[152],"in":[153],"predicting":[154],"inhibition":[156],"several":[159,200],"were":[162,202],"obtained":[163],"applying":[164],"procedure":[168],"one":[170],"five":[173],"(N":[174,183],"5)":[176],"two":[179],"sets":[180],"seven":[182],"7)":[185],"Then":[187],"34":[192],"coumarins":[193],"30":[195],"flavonoids":[196],"was":[197],"predicted,":[198],"compounds":[201],"detected":[203],"very":[206],"high":[207],"activity.":[209]},"counts_by_year":[{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2016,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
