{"id":"https://openalex.org/W2220102852","doi":"https://doi.org/10.1021/ci030384n","title":"A Study on the Antipicornavirus Activity of Flavonoid Compounds (Flavones) by Using Quantum Chemical and Chemometric Methods","display_name":"A Study on the Antipicornavirus Activity of Flavonoid Compounds (Flavones) by Using Quantum Chemical and Chemometric Methods","publication_year":2004,"publication_date":"2004-04-21","ids":{"openalex":"https://openalex.org/W2220102852","doi":"https://doi.org/10.1021/ci030384n","mag":"2220102852","pmid":"https://pubmed.ncbi.nlm.nih.gov/15154785"},"language":"en","primary_location":{"id":"doi:10.1021/ci030384n","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci030384n","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/A5053516431","display_name":"Jaime Souza","orcid":null},"institutions":[{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]},{"id":"https://openalex.org/I177909021","display_name":"Universidade Federal de S\u00e3o Carlos","ror":"https://ror.org/00qdc6m37","country_code":"BR","type":"education","lineage":["https://openalex.org/I177909021"]}],"countries":["BR"],"is_corresponding":true,"raw_author_name":"Jaime Souza","raw_affiliation_strings":["Departamento de Qu\u00edmica e F\u00edsica Molecular, Instituto de Qu\u00edmica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, CP 780, 13560-970, S\u00e3o Carlos, SP, Brasil"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica e F\u00edsica Molecular, Instituto de Qu\u00edmica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, CP 780, 13560-970, S\u00e3o Carlos, SP, Brasil","institution_ids":["https://openalex.org/I177909021","https://openalex.org/I17974374"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5043181467","display_name":"F\u00e1bio Alberto de Molfetta","orcid":"https://orcid.org/0000-0002-6773-6923"},"institutions":[{"id":"https://openalex.org/I177909021","display_name":"Universidade Federal de S\u00e3o Carlos","ror":"https://ror.org/00qdc6m37","country_code":"BR","type":"education","lineage":["https://openalex.org/I177909021"]},{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"F\u00e1bio A. Molfetta","raw_affiliation_strings":["Departamento de Qu\u00edmica e F\u00edsica Molecular, Instituto de Qu\u00edmica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, CP 780, 13560-970, S\u00e3o Carlos, SP, Brasil"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica e F\u00edsica Molecular, Instituto de Qu\u00edmica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, CP 780, 13560-970, S\u00e3o Carlos, SP, Brasil","institution_ids":["https://openalex.org/I177909021","https://openalex.org/I17974374"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044360721","display_name":"K\u00e1thia M. Hon\u00f3rio","orcid":"https://orcid.org/0000-0002-6938-0676"},"institutions":[{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]},{"id":"https://openalex.org/I177909021","display_name":"Universidade Federal de S\u00e3o Carlos","ror":"https://ror.org/00qdc6m37","country_code":"BR","type":"education","lineage":["https://openalex.org/I177909021"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"K\u00e1thia M. Hon\u00f3rio","raw_affiliation_strings":["Departamento de Qu\u00edmica e F\u00edsica Molecular, Instituto de Qu\u00edmica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, CP 780, 13560-970, S\u00e3o Carlos, SP, Brasil"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica e F\u00edsica Molecular, Instituto de Qu\u00edmica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, CP 780, 13560-970, S\u00e3o Carlos, SP, Brasil","institution_ids":["https://openalex.org/I177909021","https://openalex.org/I17974374"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059421495","display_name":"R.H.A. Santos","orcid":"https://orcid.org/0000-0003-0109-0098"},"institutions":[{"id":"https://openalex.org/I177909021","display_name":"Universidade Federal de S\u00e3o Carlos","ror":"https://ror.org/00qdc6m37","country_code":"BR","type":"education","lineage":["https://openalex.org/I177909021"]},{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Regina H. A. Santos","raw_affiliation_strings":["Departamento de Qu\u00edmica e F\u00edsica Molecular, Instituto de Qu\u00edmica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, CP 780, 13560-970, S\u00e3o Carlos, SP, Brasil"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica e F\u00edsica Molecular, Instituto de Qu\u00edmica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, CP 780, 13560-970, S\u00e3o Carlos, SP, Brasil","institution_ids":["https://openalex.org/I177909021","https://openalex.org/I17974374"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5063908281","display_name":"Alb\u00e9rico B. F. da Silva","orcid":"https://orcid.org/0000-0003-2337-1042"},"institutions":[{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]},{"id":"https://openalex.org/I177909021","display_name":"Universidade Federal de S\u00e3o Carlos","ror":"https://ror.org/00qdc6m37","country_code":"BR","type":"education","lineage":["https://openalex.org/I177909021"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Alb\u00e9rico B. F. da Silva","raw_affiliation_strings":["Departamento de Qu\u00edmica e F\u00edsica Molecular, Instituto de Qu\u00edmica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, CP 780, 13560-970, S\u00e3o Carlos, SP, Brasil"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica e F\u00edsica Molecular, Instituto de Qu\u00edmica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, CP 780, 13560-970, S\u00e3o Carlos, SP, Brasil","institution_ids":["https://openalex.org/I177909021","https://openalex.org/I17974374"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5053516431"],"corresponding_institution_ids":["https://openalex.org/I177909021","https://openalex.org/I17974374"],"apc_list":null,"apc_paid":null,"fwci":0.9196,"has_fulltext":false,"cited_by_count":14,"citation_normalized_percentile":{"value":0.7767043,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"44","issue":"3","first_page":"1153","last_page":"1161"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11112","display_name":"Viral Infections and Immunology Research","score":0.9828000068664551,"subfield":{"id":"https://openalex.org/subfields/2705","display_name":"Cardiology and Cardiovascular Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T11112","display_name":"Viral Infections and Immunology Research","score":0.9828000068664551,"subfield":{"id":"https://openalex.org/subfields/2705","display_name":"Cardiology and Cardiovascular Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10166","display_name":"Mosquito-borne diseases and control","score":0.9731000065803528,"subfield":{"id":"https://openalex.org/subfields/2739","display_name":"Public Health, Environmental and Occupational Health"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10167","display_name":"Influenza Virus Research Studies","score":0.9603999853134155,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/flavones","display_name":"Flavones","score":0.8938864469528198},{"id":"https://openalex.org/keywords/principal-component-analysis","display_name":"Principal component analysis","score":0.7364946007728577},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.7270545959472656},{"id":"https://openalex.org/keywords/molar-refractivity","display_name":"Molar refractivity","score":0.6586769819259644},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.587336003780365},{"id":"https://openalex.org/keywords/flavonoid","display_name":"Flavonoid","score":0.5594759583473206},{"id":"https://openalex.org/keywords/molecular-descriptor","display_name":"Molecular descriptor","score":0.5159571766853333},{"id":"https://openalex.org/keywords/steric-effects","display_name":"Steric effects","score":0.5023207664489746},{"id":"https://openalex.org/keywords/linear-discriminant-analysis","display_name":"Linear discriminant analysis","score":0.4914761781692505},{"id":"https://openalex.org/keywords/quantum-chemical","display_name":"Quantum chemical","score":0.45679616928100586},{"id":"https://openalex.org/keywords/curse-of-dimensionality","display_name":"Curse of dimensionality","score":0.43737661838531494},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.42796745896339417},{"id":"https://openalex.org/keywords/partial-least-squares-regression","display_name":"Partial least squares regression","score":0.4177365005016327},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3497418165206909},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.3425547778606415},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.30783653259277344},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.14381030201911926},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.129054456949234},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.12571999430656433},{"id":"https://openalex.org/keywords/chromatography","display_name":"Chromatography","score":0.09241029620170593},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.07718589901924133},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.06917154788970947}],"concepts":[{"id":"https://openalex.org/C2776292868","wikidata":"https://www.wikidata.org/wiki/Q424525","display_name":"Flavones","level":2,"score":0.8938864469528198},{"id":"https://openalex.org/C27438332","wikidata":"https://www.wikidata.org/wiki/Q2873","display_name":"Principal component analysis","level":2,"score":0.7364946007728577},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7270545959472656},{"id":"https://openalex.org/C2780708107","wikidata":"https://www.wikidata.org/wiki/Q2034549","display_name":"Molar refractivity","level":3,"score":0.6586769819259644},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.587336003780365},{"id":"https://openalex.org/C2779054382","wikidata":"https://www.wikidata.org/wiki/Q72185287","display_name":"Flavonoid","level":3,"score":0.5594759583473206},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.5159571766853333},{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.5023207664489746},{"id":"https://openalex.org/C69738355","wikidata":"https://www.wikidata.org/wiki/Q1228929","display_name":"Linear discriminant analysis","level":2,"score":0.4914761781692505},{"id":"https://openalex.org/C2991951333","wikidata":"https://www.wikidata.org/wiki/Q188403","display_name":"Quantum chemical","level":3,"score":0.45679616928100586},{"id":"https://openalex.org/C111030470","wikidata":"https://www.wikidata.org/wiki/Q1430460","display_name":"Curse of dimensionality","level":2,"score":0.43737661838531494},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.42796745896339417},{"id":"https://openalex.org/C22354355","wikidata":"https://www.wikidata.org/wiki/Q422009","display_name":"Partial least squares regression","level":2,"score":0.4177365005016327},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3497418165206909},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3425547778606415},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.30783653259277344},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.14381030201911926},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.129054456949234},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.12571999430656433},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.09241029620170593},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.07718589901924133},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.06917154788970947},{"id":"https://openalex.org/C2778004101","wikidata":"https://www.wikidata.org/wiki/Q133948","display_name":"Antioxidant","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010849","descriptor_name":"Picornaviridae","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D010849","descriptor_name":"Picornaviridae","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D010849","descriptor_name":"Picornaviridae","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016002","descriptor_name":"Discriminant Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016002","descriptor_name":"Discriminant Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016002","descriptor_name":"Discriminant Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D047309","descriptor_name":"Flavones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D047309","descriptor_name":"Flavones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D047309","descriptor_name":"Flavones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D047309","descriptor_name":"Flavones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047309","descriptor_name":"Flavones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047309","descriptor_name":"Flavones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci030384n","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci030384n","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:15154785","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/15154785","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}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/10","score":0.6499999761581421,"display_name":"Reduced inequalities"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320321091","display_name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","ror":"https://ror.org/00x0ma614"},{"id":"https://openalex.org/F4320322025","display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","ror":"https://ror.org/03swz6y49"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":16,"referenced_works":["https://openalex.org/W370641869","https://openalex.org/W1973555611","https://openalex.org/W1973811282","https://openalex.org/W1985010001","https://openalex.org/W1993007154","https://openalex.org/W2000219289","https://openalex.org/W2031082832","https://openalex.org/W2049517852","https://openalex.org/W2071128523","https://openalex.org/W2071411894","https://openalex.org/W2116635595","https://openalex.org/W2766040292","https://openalex.org/W2953607564","https://openalex.org/W4234314086","https://openalex.org/W4236510851","https://openalex.org/W4238076760"],"related_works":["https://openalex.org/W2041149433","https://openalex.org/W2060890221","https://openalex.org/W2013760203","https://openalex.org/W2148009427","https://openalex.org/W1518515965","https://openalex.org/W1978931025","https://openalex.org/W3159291941","https://openalex.org/W2063120953","https://openalex.org/W2166423419","https://openalex.org/W2382489514"],"abstract_inverted_index":{"The":[0,78],"AM1":[1],"semiempirical":[2],"method":[3],"is":[4,134],"employed":[5,50],"to":[6,53,72,136],"calculate":[7],"a":[8],"set":[9],"of":[10,14,60,75,164],"molecular":[11],"properties":[12,111],"(variables)":[13],"45":[15],"flavone":[16,24,69,119,141,168],"compounds":[17,70,142,169],"with":[18,143],"antipicornavirus":[19,76,144],"activity,":[20],"and":[21,45,56,82,97,100,106,117,121,127,146,160],"9":[22,166],"new":[23,167],"molecules":[25],"are":[26,49,109,130],"used":[27],"for":[28,66,112],"an":[29],"activity":[30,145,152],"prediction":[31,153],"study.":[32],"Principal":[33],"Component":[34],"Analysis":[35,39,43],"(PCA),":[36],"Hierarchical":[37],"Cluster":[38],"(HCA),":[40],"Stepwise":[41],"Discriminant":[42],"(SDA),":[44],"K-Nearest":[46],"Neighbor":[47],"(KNN)":[48],"in":[51],"order":[52,94,103],"reduce":[54],"dimensionality":[55],"investigate":[57],"which":[58],"subset":[59],"variables":[61,88],"should":[62],"be":[63],"more":[64],"effective":[65],"classifying":[67],"the":[68,87,113,138,147,151,156,165],"according":[71],"their":[73],"degree":[74],"activity.":[77],"PCA,":[79,157],"HCA,":[80,158],"SDA,":[81,159],"KNN":[83,161],"methods":[84],"showed":[85],"that":[86,125],"MR":[89],"(molar":[90],"refractivity),":[91],"B(9)":[92],"(bond":[93,102],"between":[95,104,115,140],"C(9)":[96],"C(10)":[98],"atoms),":[99],"B(25)":[101],"C(11)":[105],"R(7)":[107],"atoms)":[108],"important":[110],"separation":[114],"active":[116,175],"inactive":[118],"compounds,":[120],"this":[122],"fact":[123],"reveals":[124],"electronic":[126],"steric":[128],"effects":[129],"relevant":[131],"when":[132],"one":[133],"trying":[135],"understand":[137],"interaction":[139],"biological":[148],"receptor.":[149],"In":[150],"study,":[154],"using":[155],"methodologies,":[162],"three":[163],"studied":[170],"were":[171],"classified":[172],"as":[173],"potentially":[174],"against":[176],"picornaviruses.":[177]},"counts_by_year":[{"year":2020,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2012,"cited_by_count":2}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}