{"id":"https://openalex.org/W4413206388","doi":"https://doi.org/10.3390/computation13080195","title":"A Quantitative Structure\u2013Activity Relationship Study of the Anabolic Activity of Ecdysteroids","display_name":"A Quantitative Structure\u2013Activity Relationship Study of the Anabolic Activity of Ecdysteroids","publication_year":2025,"publication_date":"2025-08-10","ids":{"openalex":"https://openalex.org/W4413206388","doi":"https://doi.org/10.3390/computation13080195"},"language":"en","primary_location":{"id":"doi:10.3390/computation13080195","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation13080195","pdf_url":"https://www.mdpi.com/2079-3197/13/8/195/pdf","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2079-3197/13/8/195/pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5059433640","display_name":"Durbek Usmanov","orcid":"https://orcid.org/0000-0002-7349-377X"},"institutions":[{"id":"https://openalex.org/I4210147448","display_name":"Yunusov Institute of the Chemistry of Plant Substances","ror":"https://ror.org/05515rj28","country_code":"UZ","type":"facility","lineage":["https://openalex.org/I1302269238","https://openalex.org/I4210147448"]},{"id":"https://openalex.org/I57328836","display_name":"North Dakota State University","ror":"https://ror.org/05h1bnb22","country_code":"US","type":"education","lineage":["https://openalex.org/I57328836"]}],"countries":["US","UZ"],"is_corresponding":true,"raw_author_name":"Durbek Usmanov","raw_affiliation_strings":["Department of Coatings and Polymeric Materials, North Dakota State University, Fargo, ND 58102-7207, USA","Institute of the Chemistry of Plant Substances, Academy of Sciences of the Republic of Uzbekistan, Tashkent 100170, Uzbekistan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Coatings and Polymeric Materials, North Dakota State University, Fargo, ND 58102-7207, USA","institution_ids":["https://openalex.org/I57328836"]},{"raw_affiliation_string":"Institute of the Chemistry of Plant Substances, Academy of Sciences of the Republic of Uzbekistan, Tashkent 100170, Uzbekistan","institution_ids":["https://openalex.org/I4210147448"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048701115","display_name":"Ugiloy Yusufovna Yusupova","orcid":"https://orcid.org/0000-0003-3401-2379"},"institutions":[{"id":"https://openalex.org/I4210147448","display_name":"Yunusov Institute of the Chemistry of Plant Substances","ror":"https://ror.org/05515rj28","country_code":"UZ","type":"facility","lineage":["https://openalex.org/I1302269238","https://openalex.org/I4210147448"]}],"countries":["UZ"],"is_corresponding":false,"raw_author_name":"Ugiloy Yusupova","raw_affiliation_strings":["Institute of the Chemistry of Plant Substances, Academy of Sciences of the Republic of Uzbekistan, Tashkent 100170, Uzbekistan"],"raw_orcid":"https://orcid.org/0000-0003-3401-2379","affiliations":[{"raw_affiliation_string":"Institute of the Chemistry of Plant Substances, Academy of Sciences of the Republic of Uzbekistan, Tashkent 100170, Uzbekistan","institution_ids":["https://openalex.org/I4210147448"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046220098","display_name":"\u0412. \u041d. \u0421\u044b\u0440\u043e\u0432","orcid":null},"institutions":[{"id":"https://openalex.org/I4210147448","display_name":"Yunusov Institute of the Chemistry of Plant Substances","ror":"https://ror.org/05515rj28","country_code":"UZ","type":"facility","lineage":["https://openalex.org/I1302269238","https://openalex.org/I4210147448"]}],"countries":["UZ"],"is_corresponding":false,"raw_author_name":"Vladimir Syrov","raw_affiliation_strings":["Institute of the Chemistry of Plant Substances, Academy of Sciences of the Republic of Uzbekistan, Tashkent 100170, Uzbekistan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of the Chemistry of Plant Substances, Academy of Sciences of the Republic of Uzbekistan, Tashkent 100170, Uzbekistan","institution_ids":["https://openalex.org/I4210147448"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020056096","display_name":"Gerardo M. Casa\u00f1ola\u2010Mart\u00edn","orcid":"https://orcid.org/0000-0003-0383-2032"},"institutions":[{"id":"https://openalex.org/I57328836","display_name":"North Dakota State University","ror":"https://ror.org/05h1bnb22","country_code":"US","type":"education","lineage":["https://openalex.org/I57328836"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gerardo M. Casanola-Martin","raw_affiliation_strings":["Department of Coatings and Polymeric Materials, North Dakota State University, Fargo, ND 58102-7207, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Coatings and Polymeric Materials, North Dakota State University, Fargo, ND 58102-7207, USA","institution_ids":["https://openalex.org/I57328836"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078567166","display_name":"Bakhtiyor Rasulev","orcid":"https://orcid.org/0000-0002-7845-4884"},"institutions":[{"id":"https://openalex.org/I47151758","display_name":"National University of Uzbekistan","ror":"https://ror.org/011647w73","country_code":"UZ","type":"education","lineage":["https://openalex.org/I47151758"]},{"id":"https://openalex.org/I57328836","display_name":"North Dakota State University","ror":"https://ror.org/05h1bnb22","country_code":"US","type":"education","lineage":["https://openalex.org/I57328836"]}],"countries":["US","UZ"],"is_corresponding":false,"raw_author_name":"Bakhtiyor Rasulev","raw_affiliation_strings":["Department of Chemistry, National University of Uzbekistan, Tashkent 100174, Uzbekistan","Department of Coatings and Polymeric Materials, North Dakota State University, Fargo, ND 58102-7207, USA"],"raw_orcid":"https://orcid.org/0000-0002-7845-4884","affiliations":[{"raw_affiliation_string":"Department of Chemistry, National University of Uzbekistan, Tashkent 100174, Uzbekistan","institution_ids":["https://openalex.org/I47151758"]},{"raw_affiliation_string":"Department of Coatings and Polymeric Materials, North Dakota State University, Fargo, ND 58102-7207, USA","institution_ids":["https://openalex.org/I57328836"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5059433640"],"corresponding_institution_ids":["https://openalex.org/I4210147448","https://openalex.org/I57328836"],"apc_list":{"value":1400,"currency":"CHF","value_usd":1515},"apc_paid":{"value":1400,"currency":"CHF","value_usd":1515},"fwci":1.3257,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.8467304,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"13","issue":"8","first_page":"195","last_page":"195"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9944000244140625,"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":0.9944000244140625,"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/T10423","display_name":"Neurobiology and Insect Physiology Research","score":0.9940999746322632,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11882","display_name":"Plant biochemistry and biosynthesis","score":0.9890000224113464,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.9347173571586609},{"id":"https://openalex.org/keywords/anabolism","display_name":"Anabolism","score":0.7850903272628784},{"id":"https://openalex.org/keywords/feature-selection","display_name":"Feature selection","score":0.6504819393157959},{"id":"https://openalex.org/keywords/ecdysteroid","display_name":"Ecdysteroid","score":0.5904858708381653},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.4668842852115631},{"id":"https://openalex.org/keywords/relevance","display_name":"Relevance (law)","score":0.4496142268180847},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.44000324606895447},{"id":"https://openalex.org/keywords/feature","display_name":"Feature (linguistics)","score":0.42848607897758484},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.4152357578277588},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.3738465905189514},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.37014779448509216},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.33771613240242004},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.17808011174201965},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.08762574195861816}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.9347173571586609},{"id":"https://openalex.org/C1008401","wikidata":"https://www.wikidata.org/wiki/Q184681","display_name":"Anabolism","level":2,"score":0.7850903272628784},{"id":"https://openalex.org/C148483581","wikidata":"https://www.wikidata.org/wiki/Q446488","display_name":"Feature selection","level":2,"score":0.6504819393157959},{"id":"https://openalex.org/C2776905768","wikidata":"https://www.wikidata.org/wiki/Q138983","display_name":"Ecdysteroid","level":3,"score":0.5904858708381653},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.4668842852115631},{"id":"https://openalex.org/C158154518","wikidata":"https://www.wikidata.org/wiki/Q7310970","display_name":"Relevance (law)","level":2,"score":0.4496142268180847},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.44000324606895447},{"id":"https://openalex.org/C2776401178","wikidata":"https://www.wikidata.org/wiki/Q12050496","display_name":"Feature (linguistics)","level":2,"score":0.42848607897758484},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.4152357578277588},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3738465905189514},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.37014779448509216},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.33771613240242004},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.17808011174201965},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.08762574195861816},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0},{"id":"https://openalex.org/C41895202","wikidata":"https://www.wikidata.org/wiki/Q8162","display_name":"Linguistics","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C71315377","wikidata":"https://www.wikidata.org/wiki/Q11364","display_name":"Hormone","level":2,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.3390/computation13080195","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation13080195","pdf_url":"https://www.mdpi.com/2079-3197/13/8/195/pdf","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:141ed0ce091a444aad90436adb025f77","is_oa":true,"landing_page_url":"https://doaj.org/article/141ed0ce091a444aad90436adb025f77","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computation, Vol 13, Iss 8, p 195 (2025)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3390/computation13080195","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation13080195","pdf_url":"https://www.mdpi.com/2079-3197/13/8/195/pdf","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G3686115245","display_name":null,"funder_award_id":"2019077","funder_id":"https://openalex.org/F4320309013","funder_display_name":"North Dakota State University"},{"id":"https://openalex.org/G5183271146","display_name":null,"funder_award_id":"2019077","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320309013","display_name":"North Dakota State University","ror":"https://ror.org/05h1bnb22"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4413206388.pdf","grobid_xml":"https://content.openalex.org/works/W4413206388.grobid-xml"},"referenced_works_count":43,"referenced_works":["https://openalex.org/W14426421","https://openalex.org/W51650561","https://openalex.org/W67789296","https://openalex.org/W133976248","https://openalex.org/W374255354","https://openalex.org/W1535630692","https://openalex.org/W1558744531","https://openalex.org/W1964922707","https://openalex.org/W1969477202","https://openalex.org/W1978767347","https://openalex.org/W1979145572","https://openalex.org/W1979258927","https://openalex.org/W1981939829","https://openalex.org/W1989361415","https://openalex.org/W1995379006","https://openalex.org/W1996998935","https://openalex.org/W2014938111","https://openalex.org/W2020477872","https://openalex.org/W2033067830","https://openalex.org/W2041384842","https://openalex.org/W2048312836","https://openalex.org/W2052158503","https://openalex.org/W2084343248","https://openalex.org/W2085674769","https://openalex.org/W2086920184","https://openalex.org/W2104900375","https://openalex.org/W2127018489","https://openalex.org/W2133679578","https://openalex.org/W2142797374","https://openalex.org/W2147571602","https://openalex.org/W2152629484","https://openalex.org/W2171183696","https://openalex.org/W2172072929","https://openalex.org/W2476290250","https://openalex.org/W2512544948","https://openalex.org/W2937817668","https://openalex.org/W2946524956","https://openalex.org/W3020179139","https://openalex.org/W3021162908","https://openalex.org/W3033560506","https://openalex.org/W6631956846","https://openalex.org/W6725956074","https://openalex.org/W6776332692"],"related_works":["https://openalex.org/W4233905605","https://openalex.org/W2159112869","https://openalex.org/W2382340815","https://openalex.org/W1972650408","https://openalex.org/W2551736466","https://openalex.org/W2056839274","https://openalex.org/W2267841304","https://openalex.org/W1997566113","https://openalex.org/W2109099","https://openalex.org/W2019262014"],"abstract_inverted_index":{"Phytoecdysteroids":[0],"represent":[1],"a":[2,25,52],"class":[3],"of":[4,41,89,104,128,148],"naturally":[5],"occurring":[6],"substances":[7],"known":[8],"for":[9,99],"their":[10,15],"diverse":[11],"biological":[12],"functions,":[13],"particularly":[14],"strong":[16,118],"ability":[17],"to":[18,36,76,84,150],"stimulate":[19],"protein":[20],"anabolism.":[21],"In":[22],"this":[23],"study,":[24],"computational":[26],"machine":[27],"learning-driven":[28],"quantitative":[29],"structure\u2013activity":[30],"relationship":[31],"(QSAR)":[32],"approach":[33,54],"was":[34,49,74,132],"applied":[35],"analyze":[37],"the":[38,78,101,105,129,146],"anabolic":[39,102],"potential":[40],"23":[42],"ecdysteroid":[43],"compounds.":[44],"The":[45,94,112,125],"ML-based":[46],"QSAR":[47,97],"modeling":[48],"conducted":[50],"using":[51],"combined":[53],"that":[55],"integrates":[56],"Genetic":[57],"Algorithm-based":[58],"feature":[59],"selection":[60],"with":[61],"Multiple":[62],"Linear":[63],"Regression":[64],"Analysis":[65],"(GA-MLRA).":[66],"Additionally,":[67],"structure":[68],"optimization":[69],"by":[70,134],"semi-empirical":[71],"quantum-chemical":[72],"method":[73],"employed":[75],"determine":[77],"most":[79,95],"stable":[80],"molecular":[81],"conformations":[82],"and":[83,91,110,121],"calculate":[85],"an":[86,135],"additional":[87],"set":[88,138],"structural":[90],"electronic":[92],"descriptors.":[93],"effective":[96],"models":[98,131],"describing":[100],"activity":[103],"investigated":[106],"ecdysteroids":[107],"were":[108,144],"developed":[109],"validated.":[111],"proposed":[113],"best":[114],"model":[115],"demonstrates":[116],"both":[117],"statistical":[119],"relevance":[120],"high":[122],"predictive":[123,126],"performance.":[124],"performance":[127],"resulting":[130],"confirmed":[133],"external":[136],"test":[137],"based":[139],"on":[140],"R2test":[141],"values,":[142],"which":[143],"within":[145],"range":[147],"0.89":[149],"0.97.":[151]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-03-11T06:11:40.159057","created_date":"2025-10-10T00:00:00"}