{"id":"https://openalex.org/W2011043110","doi":"https://doi.org/10.1109/fskd.2010.5569766","title":"Application of ETSIAT to the toxicity prediction of aliphatic alcohols","display_name":"Application of ETSIAT to the toxicity prediction of aliphatic alcohols","publication_year":2010,"publication_date":"2010-08-01","ids":{"openalex":"https://openalex.org/W2011043110","doi":"https://doi.org/10.1109/fskd.2010.5569766","mag":"2011043110"},"language":"en","primary_location":{"id":"doi:10.1109/fskd.2010.5569766","is_oa":false,"landing_page_url":"https://doi.org/10.1109/fskd.2010.5569766","pdf_url":null,"source":{"id":"https://openalex.org/S4363608217","display_name":"2010 Seventh International Conference on Fuzzy Systems and Knowledge Discovery","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2010 Seventh International Conference on Fuzzy Systems and Knowledge Discovery","raw_type":"proceedings-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/A5100402534","display_name":"Jian Li","orcid":"https://orcid.org/0000-0002-7521-8798"},"institutions":[{"id":"https://openalex.org/I158842170","display_name":"Chongqing University","ror":"https://ror.org/023rhb549","country_code":"CN","type":"education","lineage":["https://openalex.org/I158842170"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jian Li","raw_affiliation_strings":["Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","Key Laboratory of Biorheological Science and Technology, Chongqing University, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","institution_ids":["https://openalex.org/I158842170"]},{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, China","institution_ids":["https://openalex.org/I158842170"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003577703","display_name":"Mei Hu","orcid":"https://orcid.org/0000-0001-5010-2978"},"institutions":[{"id":"https://openalex.org/I158842170","display_name":"Chongqing University","ror":"https://ror.org/023rhb549","country_code":"CN","type":"education","lineage":["https://openalex.org/I158842170"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hu Mei","raw_affiliation_strings":["Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","Key Laboratory of Biorheological Science and Technology, Chongqing University, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","institution_ids":["https://openalex.org/I158842170"]},{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, China","institution_ids":["https://openalex.org/I158842170"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100709800","display_name":"Yang Li","orcid":"https://orcid.org/0000-0002-4867-2581"},"institutions":[{"id":"https://openalex.org/I158842170","display_name":"Chongqing University","ror":"https://ror.org/023rhb549","country_code":"CN","type":"education","lineage":["https://openalex.org/I158842170"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Li Yang","raw_affiliation_strings":["Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","Key Laboratory of Biorheological Science and Technology, Chongqing University, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","institution_ids":["https://openalex.org/I158842170"]},{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, China","institution_ids":["https://openalex.org/I158842170"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100725059","display_name":"Qin Wang","orcid":"https://orcid.org/0000-0002-1465-6970"},"institutions":[{"id":"https://openalex.org/I158842170","display_name":"Chongqing University","ror":"https://ror.org/023rhb549","country_code":"CN","type":"education","lineage":["https://openalex.org/I158842170"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qin Wang","raw_affiliation_strings":["Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","Key Laboratory of Biorheological Science and Technology, Chongqing University, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","institution_ids":["https://openalex.org/I158842170"]},{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, China","institution_ids":["https://openalex.org/I158842170"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101449062","display_name":"Yan Ning","orcid":"https://orcid.org/0000-0001-7305-9773"},"institutions":[{"id":"https://openalex.org/I158842170","display_name":"Chongqing University","ror":"https://ror.org/023rhb549","country_code":"CN","type":"education","lineage":["https://openalex.org/I158842170"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ning Yan","raw_affiliation_strings":["Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","Key Laboratory of Biorheological Science and Technology, Chongqing University, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","institution_ids":["https://openalex.org/I158842170"]},{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, China","institution_ids":["https://openalex.org/I158842170"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100418822","display_name":"Li Liu","orcid":"https://orcid.org/0000-0002-4776-5292"},"institutions":[{"id":"https://openalex.org/I158842170","display_name":"Chongqing University","ror":"https://ror.org/023rhb549","country_code":"CN","type":"education","lineage":["https://openalex.org/I158842170"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Li Liu","raw_affiliation_strings":["Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","Key Laboratory of Biorheological Science and Technology, Chongqing University, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","institution_ids":["https://openalex.org/I158842170"]},{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, China","institution_ids":["https://openalex.org/I158842170"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101948775","display_name":"Jiaying Sun","orcid":"https://orcid.org/0000-0001-5387-0745"},"institutions":[{"id":"https://openalex.org/I158842170","display_name":"Chongqing University","ror":"https://ror.org/023rhb549","country_code":"CN","type":"education","lineage":["https://openalex.org/I158842170"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jia-Ying Sun","raw_affiliation_strings":["Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","Key Laboratory of Biorheological Science and Technology, Chongqing University, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","institution_ids":["https://openalex.org/I158842170"]},{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, China","institution_ids":["https://openalex.org/I158842170"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5026449732","display_name":"Jiangan Xie","orcid":"https://orcid.org/0000-0003-0958-3364"},"institutions":[{"id":"https://openalex.org/I158842170","display_name":"Chongqing University","ror":"https://ror.org/023rhb549","country_code":"CN","type":"education","lineage":["https://openalex.org/I158842170"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jiang-An Xie","raw_affiliation_strings":["Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","Key Laboratory of Biorheological Science and Technology, Chongqing University, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, Chongqing, China","institution_ids":["https://openalex.org/I158842170"]},{"raw_affiliation_string":"Key Laboratory of Biorheological Science and Technology, Chongqing University, China","institution_ids":["https://openalex.org/I158842170"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5100402534"],"corresponding_institution_ids":["https://openalex.org/I158842170"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.19197208,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"25","issue":null,"first_page":"2177","last_page":"2181"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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":0.9998000264167786,"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9684000015258789,"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"}},{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.9584000110626221,"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/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.9632358551025391},{"id":"https://openalex.org/keywords/partial-least-squares-regression","display_name":"Partial least squares regression","score":0.7206908464431763},{"id":"https://openalex.org/keywords/steric-effects","display_name":"Steric effects","score":0.6528505086898804},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6147511601448059},{"id":"https://openalex.org/keywords/toxicity","display_name":"Toxicity","score":0.5637790560722351},{"id":"https://openalex.org/keywords/alcohol","display_name":"Alcohol","score":0.4581358730792999},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.3318418860435486},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.2845057249069214},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.2805798053741455},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.1580546498298645},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.13716498017311096},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1363038718700409}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.9632358551025391},{"id":"https://openalex.org/C22354355","wikidata":"https://www.wikidata.org/wiki/Q422009","display_name":"Partial least squares regression","level":2,"score":0.7206908464431763},{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.6528505086898804},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6147511601448059},{"id":"https://openalex.org/C29730261","wikidata":"https://www.wikidata.org/wiki/Q274160","display_name":"Toxicity","level":2,"score":0.5637790560722351},{"id":"https://openalex.org/C2781066024","wikidata":"https://www.wikidata.org/wiki/Q156","display_name":"Alcohol","level":2,"score":0.4581358730792999},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3318418860435486},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2845057249069214},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.2805798053741455},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.1580546498298645},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.13716498017311096},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1363038718700409}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/fskd.2010.5569766","is_oa":false,"landing_page_url":"https://doi.org/10.1109/fskd.2010.5569766","pdf_url":null,"source":{"id":"https://openalex.org/S4363608217","display_name":"2010 Seventh International Conference on Fuzzy Systems and Knowledge Discovery","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2010 Seventh International Conference on Fuzzy Systems and Knowledge Discovery","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":17,"referenced_works":["https://openalex.org/W112873001","https://openalex.org/W421463624","https://openalex.org/W1969071078","https://openalex.org/W1971769921","https://openalex.org/W1991060448","https://openalex.org/W1996063127","https://openalex.org/W2011073429","https://openalex.org/W2012406098","https://openalex.org/W2016589181","https://openalex.org/W2047673152","https://openalex.org/W2093763288","https://openalex.org/W2349232501","https://openalex.org/W2354979997","https://openalex.org/W2393219926","https://openalex.org/W2911937447","https://openalex.org/W3081604084","https://openalex.org/W4238684993"],"related_works":["https://openalex.org/W2382340815","https://openalex.org/W1972650408","https://openalex.org/W2551736466","https://openalex.org/W1997566113","https://openalex.org/W4294723901","https://openalex.org/W3189652131","https://openalex.org/W4310690213","https://openalex.org/W1965238818","https://openalex.org/W2908740012","https://openalex.org/W2022383765"],"abstract_inverted_index":{"ETSIAT":[0,47],"was":[1],"employed":[2],"in":[3],"the":[4,11,16,50,61,74,78,95,98],"quantitative":[5],"structure-activity":[6],"relationship":[7],"(QSAR)":[8],"modeling":[9],"on":[10,73],"aliphatic":[12,55,99,112],"alcohol":[13,56],"toxicities":[14,96],"to":[15,54],"Tetrahymena,":[17],"tomato,":[18],"spider,":[19],"and":[20,34,40,60,67,87,101,110],"bacterial":[21],"luciferases":[22],"et":[23],"al..":[24],"The":[25,43],"QSAR":[26,63,79],"models":[27,64],"were":[28,65,91],"established":[29],"by":[30,37],"partial":[31],"least":[32],"squares":[33],"further":[35],"validated":[36],"both":[38],"internal":[39],"external":[41],"validations.":[42],"results":[44],"showed":[45,68],"that":[46,85],"can":[48,82],"characterize":[49],"structural":[51],"information":[52],"relevant":[53],"toxicity":[57,106],"very":[58],"well":[59],"resulting":[62],"robust":[66],"high":[69],"predictive":[70],"capabilities.":[71],"Based":[72],"PLS":[75],"analysis":[76],"of":[77,97],"models,":[80],"it":[81],"be":[83,104],"inferred":[84],"hydrophobicity":[86],"steric":[88],"hindrance":[89],"effects":[90],"key":[92],"factors":[93],"influencing":[94],"alcohols,":[100],"there":[102],"may":[103],"different":[105],"mechanisms":[107],"between":[108],"long-chain":[109],"short-chain":[111],"alcohols.":[113]},"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
