{"id":"https://openalex.org/W4404592638","doi":"https://doi.org/10.1016/j.chemolab.2024.105278","title":"A review of quantitative structure-activity relationship: The development and current status of data sets, molecular descriptors and mathematical models","display_name":"A review of quantitative structure-activity relationship: The development and current status of data sets, molecular descriptors and mathematical models","publication_year":2024,"publication_date":"2024-11-21","ids":{"openalex":"https://openalex.org/W4404592638","doi":"https://doi.org/10.1016/j.chemolab.2024.105278"},"language":"en","primary_location":{"id":"doi:10.1016/j.chemolab.2024.105278","doi":"https://doi.org/10.1016/j.chemolab.2024.105278","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.chemolab.2024.105278","pdf_url":null,"source":{"id":"https://openalex.org/S69755223","display_name":"Chemometrics and Intelligent Laboratory Systems","issn_l":"0169-7439","issn":["0169-7439","1873-3239"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemometrics and Intelligent Laboratory Systems","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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":null,"display_name":"Jianmin Li","orcid":"https://orcid.org/0009-0006-6694-8146","observed_orcids":["https://orcid.org/0009-0006-6694-8146"]},"institutions":[{"id":"https://openalex.org/I4210128208","display_name":"Tongren University","ror":"https://ror.org/035hxad97","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210128208"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jianmin Li","raw_affiliation_strings":["College of Material and Chemical Engineering, Tongren University, Tongren, 554300, Guizhou, PR China","School of Sports and Health Science, Tongren University, Tongren, 554300, PR China"],"raw_orcid":"https://orcid.org/0009-0006-6694-8146","affiliations":[{"raw_affiliation_string":"College of Material and Chemical Engineering, Tongren University, Tongren, 554300, Guizhou, PR China","institution_ids":["https://openalex.org/I4210128208"]},{"raw_affiliation_string":"School of Sports and Health Science, Tongren University, Tongren, 554300, PR China","institution_ids":["https://openalex.org/I4210128208"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055252061","display_name":"Tian Jiao Zhao","orcid":"https://orcid.org/0000-0002-4852-0748","observed_orcids":["https://orcid.org/0000-0002-4852-0748"]},"institutions":[{"id":"https://openalex.org/I4210128208","display_name":"Tongren University","ror":"https://ror.org/035hxad97","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210128208"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Tian Zhao","raw_affiliation_strings":["College of Material and Chemical Engineering, Tongren University, Tongren, 554300, Guizhou, PR China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Material and Chemical Engineering, Tongren University, Tongren, 554300, Guizhou, PR China","institution_ids":["https://openalex.org/I4210128208"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5115588374","display_name":"Qin Yang","orcid":"https://orcid.org/0000-0003-3792-2116","observed_orcids":["https://orcid.org/0000-0003-3792-2116"]},"institutions":[{"id":"https://openalex.org/I177739611","display_name":"Yangtze University","ror":"https://ror.org/05bhmhz54","country_code":"CN","type":"education","lineage":["https://openalex.org/I177739611"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Qin Yang","raw_affiliation_strings":["College of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou, 434023, PR China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou, 434023, PR China","institution_ids":["https://openalex.org/I177739611"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Shijie Du","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210128208","display_name":"Tongren University","ror":"https://ror.org/035hxad97","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210128208"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shijie Du","raw_affiliation_strings":["College of Material and Chemical Engineering, Tongren University, Tongren, 554300, Guizhou, PR China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Material and Chemical Engineering, Tongren University, Tongren, 554300, Guizhou, PR China","institution_ids":["https://openalex.org/I4210128208"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5012688419","display_name":"Lu Xu","orcid":"https://orcid.org/0000-0003-4742-5623","observed_orcids":["https://orcid.org/0000-0003-4742-5623"]},"institutions":[{"id":"https://openalex.org/I4210128208","display_name":"Tongren University","ror":"https://ror.org/035hxad97","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210128208"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Lu Xu","raw_affiliation_strings":["College of Material and Chemical Engineering, Tongren University, Tongren, 554300, Guizhou, PR China","School of Sports and Health Science, Tongren University, Tongren, 554300, PR China"],"raw_orcid":"https://orcid.org/0000-0003-4742-5623","affiliations":[{"raw_affiliation_string":"College of Material and Chemical Engineering, Tongren University, Tongren, 554300, Guizhou, PR China","institution_ids":["https://openalex.org/I4210128208"]},{"raw_affiliation_string":"School of Sports and Health Science, Tongren University, Tongren, 554300, PR China","institution_ids":["https://openalex.org/I4210128208"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5012688419","https://openalex.org/A5115588374"],"corresponding_institution_ids":["https://openalex.org/I177739611","https://openalex.org/I4210128208"],"apc_list":{"value":3830,"currency":"USD","value_usd":3830},"apc_paid":null,"fwci":11.5436,"has_fulltext":false,"cited_by_count":87,"citation_normalized_percentile":{"value":0.99284291,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"256","issue":null,"first_page":"105278","last_page":"105278"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/qsar","display_name":"QSAR","score":0.9919999837875366},{"id":"https://openalex.org/keywords/molecular-descriptors","display_name":"molecular descriptors","score":1.0},{"id":"https://openalex.org/keywords/molecular-design","display_name":"molecular design","score":0.7960000038146973},{"id":"https://openalex.org/keywords/interpretability","display_name":"interpretability","score":0.5090000033378601},{"id":"https://openalex.org/keywords/bibliometrics","display_name":"bibliometric analysis","score":0.6129999756813049}],"concepts":[{"id":"https://openalex.org/C148043351","wikidata":"https://www.wikidata.org/wiki/Q4456944","display_name":"Current (fluid)","level":2,"score":0.6163331866264343},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4198063611984253},{"id":"https://openalex.org/C149782125","wikidata":"https://www.wikidata.org/wiki/Q160039","display_name":"Econometrics","level":1,"score":0.32999491691589355},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3250669836997986},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.26040101051330566},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.0900011658668518},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.06000170111656189}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.chemolab.2024.105278","doi":"https://doi.org/10.1016/j.chemolab.2024.105278","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.chemolab.2024.105278","pdf_url":null,"source":{"id":"https://openalex.org/S69755223","display_name":"Chemometrics and Intelligent Laboratory Systems","issn_l":"0169-7439","issn":["0169-7439","1873-3239"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemometrics and Intelligent Laboratory Systems","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G3558667820","display_name":null,"funder_award_id":"82260896","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":295,"referenced_works":["https://openalex.org/W143962061","https://openalex.org/W185703129","https://openalex.org/W188212593","https://openalex.org/W190963626","https://openalex.org/W764098304","https://openalex.org/W1191514801","https://openalex.org/W1510223697","https://openalex.org/W1524873219","https://openalex.org/W1534477342","https://openalex.org/W1547036528","https://openalex.org/W1559072304","https://openalex.org/W1607762855","https://openalex.org/W1680854530","https://openalex.org/W1681224145","https://openalex.org/W1712092983","https://openalex.org/W1739046993","https://openalex.org/W1757990252","https://openalex.org/W1908851533","https://openalex.org/W1969437916","https://openalex.org/W1969761972","https://openalex.org/W1972650408","https://openalex.org/W1978629585","https://openalex.org/W1980213411","https://openalex.org/W1983033715","https://openalex.org/W1984053850","https://openalex.org/W1985699832","https://openalex.org/W1986088036","https://openalex.org/W1986453686","https://openalex.org/W1988037271","https://openalex.org/W1988447874","https://openalex.org/W1990810992","https://openalex.org/W1992813516","https://openalex.org/W1993180192","https://openalex.org/W1994854869","https://openalex.org/W1996656176","https://openalex.org/W1996851544","https://openalex.org/W1997125035","https://openalex.org/W2004915807","https://openalex.org/W2009364918","https://openalex.org/W2011729909","https://openalex.org/W2012887432","https://openalex.org/W2015425076","https://openalex.org/W2015883684","https://openalex.org/W2016619479","https://openalex.org/W2019170787","https://openalex.org/W2019796461","https://openalex.org/W2020247546","https://openalex.org/W2024288361","https://openalex.org/W2026610312","https://openalex.org/W2026933652","https://openalex.org/W2027482274","https://openalex.org/W2029866800","https://openalex.org/W2033757486","https://openalex.org/W2037730130","https://openalex.org/W2039455492","https://openalex.org/W2040369353","https://openalex.org/W2042726525","https://openalex.org/W2048692987","https://openalex.org/W2054406104","https://openalex.org/W2055415068","https://openalex.org/W2055776987","https://openalex.org/W2056387884","https://openalex.org/W2056593372","https://openalex.org/W2057767448","https://openalex.org/W2063060349","https://openalex.org/W2065014569","https://openalex.org/W2065457701","https://openalex.org/W2067475982","https://openalex.org/W2072151318","https://openalex.org/W2075613930","https://openalex.org/W2076274021","https://openalex.org/W2078556671","https://openalex.org/W2080653934","https://openalex.org/W2085225242","https://openalex.org/W2087661061","https://openalex.org/W2088321706","https://openalex.org/W2088723712","https://openalex.org/W2089416959","https://openalex.org/W2090681269","https://openalex.org/W2092664655","https://openalex.org/W2092933998","https://openalex.org/W2095184154","https://openalex.org/W2100349128","https://openalex.org/W2100931593","https://openalex.org/W2102280711","https://openalex.org/W2104545864","https://openalex.org/W2111585607","https://openalex.org/W2111930081","https://openalex.org/W2112415299","https://openalex.org/W2114976615","https://openalex.org/W2117676629","https://openalex.org/W2126292488","https://openalex.org/W2128245586","https://openalex.org/W2129603678","https://openalex.org/W2131850886","https://openalex.org/W2142565532","https://openalex.org/W2148950790","https://openalex.org/W2149851078","https://openalex.org/W2150424524","https://openalex.org/W2152452453","https://openalex.org/W2157541387","https://openalex.org/W2163250689","https://openalex.org/W2163605009","https://openalex.org/W2167187529","https://openalex.org/W2170118755","https://openalex.org/W2173027866","https://openalex.org/W2177317049","https://openalex.org/W2190954469","https://openalex.org/W2197112043","https://openalex.org/W2290847742","https://openalex.org/W2312790960","https://openalex.org/W2317875279","https://openalex.org/W2323034105","https://openalex.org/W2323699125","https://openalex.org/W2336068299","https://openalex.org/W2343821734","https://openalex.org/W2396527967","https://openalex.org/W2397554732","https://openalex.org/W2438394646","https://openalex.org/W2509754533","https://openalex.org/W2527189750","https://openalex.org/W2534917409","https://openalex.org/W2604200129","https://openalex.org/W2607794200","https://openalex.org/W2618602303","https://openalex.org/W2618846164","https://openalex.org/W2618990302","https://openalex.org/W2626778328","https://openalex.org/W2738644531","https://openalex.org/W2755098789","https://openalex.org/W2774748887","https://openalex.org/W2784226073","https://openalex.org/W2788079077","https://openalex.org/W2789796452","https://openalex.org/W2792599030","https://openalex.org/W2792890373","https://openalex.org/W2793997868","https://openalex.org/W2797852426","https://openalex.org/W2800344222","https://openalex.org/W2822962393","https://openalex.org/W2889291453","https://openalex.org/W2891701086","https://openalex.org/W2900090807","https://openalex.org/W2900107325","https://openalex.org/W2903488876","https://openalex.org/W2905344844","https://openalex.org/W2909838385","https://openalex.org/W2926001774","https://openalex.org/W2932873667","https://openalex.org/W2937307539","https://openalex.org/W2939109247","https://openalex.org/W2959165901","https://openalex.org/W2970735457","https://openalex.org/W2974928461","https://openalex.org/W2980505099","https://openalex.org/W2982188507","https://openalex.org/W2982510719","https://openalex.org/W2993913064","https://openalex.org/W2994985861","https://openalex.org/W2995920835","https://openalex.org/W2999330643","https://openalex.org/W2999614829","https://openalex.org/W3000464451","https://openalex.org/W3000553806","https://openalex.org/W3012107310","https://openalex.org/W3012585755","https://openalex.org/W3012820069","https://openalex.org/W3014149066","https://openalex.org/W3015593040","https://openalex.org/W3022202137","https://openalex.org/W3028161460","https://openalex.org/W3031804055","https://openalex.org/W3033966854","https://openalex.org/W3043448946","https://openalex.org/W3043461363","https://openalex.org/W3046919655","https://openalex.org/W3047434092","https://openalex.org/W3087002432","https://openalex.org/W3092478103","https://openalex.org/W3096097684","https://openalex.org/W3112501082","https://openalex.org/W3113291402","https://openalex.org/W3114711623","https://openalex.org/W3118566429","https://openalex.org/W3125279756","https://openalex.org/W3128797497","https://openalex.org/W3130977961","https://openalex.org/W3131057326","https://openalex.org/W3133543405","https://openalex.org/W3133898778","https://openalex.org/W3133900975","https://openalex.org/W3134810820","https://openalex.org/W3143491409","https://openalex.org/W3143589187","https://openalex.org/W3153418506","https://openalex.org/W3158918155","https://openalex.org/W3170120958","https://openalex.org/W3171050817","https://openalex.org/W3173261553","https://openalex.org/W3174653015","https://openalex.org/W3179222985","https://openalex.org/W3187155755","https://openalex.org/W3189831819","https://openalex.org/W3190247062","https://openalex.org/W3194368700","https://openalex.org/W3196609471","https://openalex.org/W3197589118","https://openalex.org/W3209351766","https://openalex.org/W3209900550","https://openalex.org/W3215689235","https://openalex.org/W4200100256","https://openalex.org/W4206342251","https://openalex.org/W4213224833","https://openalex.org/W4220751635","https://openalex.org/W4220835489","https://openalex.org/W4221026587","https://openalex.org/W4221151630","https://openalex.org/W4224284665","https://openalex.org/W4226086528","https://openalex.org/W4226167804","https://openalex.org/W4233077428","https://openalex.org/W4240321558","https://openalex.org/W4244971048","https://openalex.org/W4245382101","https://openalex.org/W4249257378","https://openalex.org/W4281732955","https://openalex.org/W4283586469","https://openalex.org/W4285026790","https://openalex.org/W4285085416","https://openalex.org/W4285182528","https://openalex.org/W4285493717","https://openalex.org/W4291784178","https://openalex.org/W4292257422","https://openalex.org/W4293027896","https://openalex.org/W4293240390","https://openalex.org/W4293365963","https://openalex.org/W4294578061","https://openalex.org/W4308311549","https://openalex.org/W4308476608","https://openalex.org/W4308935378","https://openalex.org/W4309022568","https://openalex.org/W4313816625","https://openalex.org/W4316042119","https://openalex.org/W4321769095","https://openalex.org/W4321792970","https://openalex.org/W4322756929","https://openalex.org/W4323040153","https://openalex.org/W4360825349","https://openalex.org/W4360971910","https://openalex.org/W4362705156","https://openalex.org/W4362721948","https://openalex.org/W4365505282","https://openalex.org/W4366090395","https://openalex.org/W4375955194","https://openalex.org/W4378978494","https://openalex.org/W4380837733","https://openalex.org/W4381687508","https://openalex.org/W4381851937","https://openalex.org/W4382344226","https://openalex.org/W4383619745","https://openalex.org/W4384526017","https://openalex.org/W4385259283","https://openalex.org/W4385549226","https://openalex.org/W4385648285","https://openalex.org/W4385993343","https://openalex.org/W4385993383","https://openalex.org/W4386416915","https://openalex.org/W4387426047","https://openalex.org/W4387429426","https://openalex.org/W4387966518","https://openalex.org/W4388615774","https://openalex.org/W4389148601","https://openalex.org/W4389287198","https://openalex.org/W4389479893","https://openalex.org/W4390401515","https://openalex.org/W4390410958","https://openalex.org/W4390589892","https://openalex.org/W4390607572","https://openalex.org/W4390686916","https://openalex.org/W4390977021","https://openalex.org/W4391111166","https://openalex.org/W4391618195","https://openalex.org/W4391694478","https://openalex.org/W4391819572","https://openalex.org/W4391893566","https://openalex.org/W4391962651","https://openalex.org/W4392112443","https://openalex.org/W4393120074","https://openalex.org/W4396920994","https://openalex.org/W4402829046","https://openalex.org/W6756224588","https://openalex.org/W6791021879","https://openalex.org/W6806947751","https://openalex.org/W6830588518","https://openalex.org/W6850897671"],"related_works":["https://openalex.org/W4235395295","https://openalex.org/W7106213114","https://openalex.org/W7122513811","https://openalex.org/W7135023747","https://openalex.org/W4379403960","https://openalex.org/W2912464249","https://openalex.org/W7118090521","https://openalex.org/W7204649269","https://openalex.org/W2333449965","https://openalex.org/W43690112"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":57},{"year":2025,"cited_by_count":30}],"updated_date":"2026-11-12T12:28:57.059296","created_date":"2024-11-22T00:00:00"}