{"id":"https://openalex.org/W2160101329","doi":"https://doi.org/10.1002/etc.5620181116","title":"MULTIPLE COMPUTER-AUTOMATED STRUCTURE EVALUATION PROGRAM STUDY OF AQUATIC TOXICITY 1: GUPPY","display_name":"MULTIPLE COMPUTER-AUTOMATED STRUCTURE EVALUATION PROGRAM STUDY OF AQUATIC TOXICITY 1: GUPPY","publication_year":1999,"publication_date":"1999-01-01","ids":{"openalex":"https://openalex.org/W2160101329","doi":"https://doi.org/10.1002/etc.5620181116","mag":"2160101329"},"language":"en","primary_location":{"id":"doi:10.1002/etc.5620181116","doi":"https://doi.org/10.1002/etc.5620181116","is_oa":false,"landing_page_url":"https://doi.org/10.1002/etc.5620181116","pdf_url":null,"source":{"id":"https://openalex.org/S136710263","display_name":"Environmental Toxicology and Chemistry","issn_l":"0730-7268","issn":["0730-7268","1552-8618"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-3","ki-jl-1","medline","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Environmental Toxicology and Chemistry","raw_type":"journal-article"},"volume":null,"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/A5109951465","display_name":"Gilles Klopman","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I58956616","display_name":"Case Western Reserve University","ror":"https://ror.org/051fd9666","country_code":"US","type":"education","lineage":["https://openalex.org/I58956616"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Gilles Klopman","raw_affiliation_strings":["Department of Chemistry, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, Ohio, 44106, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, Ohio, 44106, USA","institution_ids":["https://openalex.org/I58956616"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010201534","display_name":"Roustem Saiakhov","orcid":"https://orcid.org/0009-0002-2219-585X","observed_orcids":["https://orcid.org/0009-0002-2219-585X"]},"institutions":[{"id":"https://openalex.org/I58956616","display_name":"Case Western Reserve University","ror":"https://ror.org/051fd9666","country_code":"US","type":"education","lineage":["https://openalex.org/I58956616"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Roustem Saiakhov","raw_affiliation_strings":["Department of Chemistry, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, Ohio, 44106, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, Ohio, 44106, USA","institution_ids":["https://openalex.org/I58956616"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073709590","display_name":"Herbert S. Rosenkranz","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Herbert S Rosenkranz","raw_affiliation_strings":["Department of Environmental and Occupational Health, University of Pittsburgh, Pittsburgh, Pennsylvania, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Environmental and Occupational Health, University of Pittsburgh, Pittsburgh, Pennsylvania, USA","institution_ids":["https://openalex.org/I170201317"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5082630926","display_name":"Joop L. M. Hermens","orcid":"https://orcid.org/0000-0002-7597-8770","observed_orcids":["https://orcid.org/0000-0002-7597-8770"]},"institutions":[{"id":"https://openalex.org/I193662353","display_name":"Utrecht University","ror":"https://ror.org/04pp8hn57","country_code":"NL","type":"education","lineage":["https://openalex.org/I193662353"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Joop L M Hermens","raw_affiliation_strings":["Research Institute of Toxicology, University of Utrecht, Utrecht, The Netherlands"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Research Institute of Toxicology, University of Utrecht, Utrecht, The Netherlands","institution_ids":["https://openalex.org/I193662353"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5109951465"],"corresponding_institution_ids":["https://openalex.org/I58956616"],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":null,"fwci":1.2168,"has_fulltext":false,"cited_by_count":32,"citation_normalized_percentile":{"value":0.76699909,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"18","issue":"11","first_page":"2497","last_page":"2497"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.5259000062942505,"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":0.5259000062942505,"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/T10447","display_name":"Environmental Toxicology and Ecotoxicology","score":0.4381999969482422,"subfield":{"id":"https://openalex.org/subfields/2307","display_name":"Health, Toxicology and Mutagenesis"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12281","display_name":"Animal testing and alternatives","score":0.004000000189989805,"subfield":{"id":"https://openalex.org/subfields/3404","display_name":"Small Animals"},"field":{"id":"https://openalex.org/fields/34","display_name":"Veterinary"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/poecilia-reticulata","display_name":"Poecilia reticulata","score":0.9319999814033508},{"id":"https://openalex.org/keywords/acute-fish-toxicity","display_name":"acute fish toxicity","score":0.7369999885559082},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.6919999718666077},{"id":"https://openalex.org/keywords/toxicity-prediction-models","display_name":"toxicity prediction models","score":0.6259999871253967},{"id":"https://openalex.org/keywords/narcosis","display_name":"narcosis","score":0.828000009059906},{"id":"https://openalex.org/keywords/toxicophores","display_name":"toxicophores","score":0.8870000243186951},{"id":"https://openalex.org/keywords/reactive-chemicals","display_name":"reactive chemicals","score":0.8090000152587891},{"id":"https://openalex.org/keywords/lc50","display_name":"LC50","score":0.8579999804496765}],"concepts":[{"id":"https://openalex.org/C2779762703","wikidata":"https://www.wikidata.org/wiki/Q178202","display_name":"Guppy","level":3,"score":0.7641507387161255},{"id":"https://openalex.org/C8381438","wikidata":"https://www.wikidata.org/wiki/Q4117900","display_name":"Aquatic toxicology","level":3,"score":0.5997930765151978},{"id":"https://openalex.org/C29730261","wikidata":"https://www.wikidata.org/wiki/Q274160","display_name":"Toxicity","level":2,"score":0.5529560446739197},{"id":"https://openalex.org/C2909208804","wikidata":"https://www.wikidata.org/wiki/Q127282","display_name":"Fish <Actinopterygii>","level":2,"score":0.30006954073905945},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2862955331802368},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2693708539009094},{"id":"https://openalex.org/C505870484","wikidata":"https://www.wikidata.org/wiki/Q180538","display_name":"Fishery","level":1,"score":0.19903358817100525},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/etc.5620181116","doi":"https://doi.org/10.1002/etc.5620181116","is_oa":false,"landing_page_url":"https://doi.org/10.1002/etc.5620181116","pdf_url":null,"source":{"id":"https://openalex.org/S136710263","display_name":"Environmental Toxicology and Chemistry","issn_l":"0730-7268","issn":["0730-7268","1552-8618"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-3","ki-jl-1","medline","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Environmental Toxicology and Chemistry","raw_type":"journal-article"},{"id":"doi:10.1897/1551-5028(1999)018<2497:mcasep>2.3.co;2","doi":"https://doi.org/10.1897/1551-5028(1999)018<2497:mcasep>2.3.co;2","is_oa":false,"landing_page_url":"https://doi.org/10.1897/1551-5028(1999)018<2497:mcasep>2.3.co;2","pdf_url":null,"source":{"id":"https://openalex.org/S136710263","display_name":"Environmental Toxicology and Chemistry","issn_l":"0730-7268","issn":["0730-7268","1552-8618"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-3","ki-jl-1","medline","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Environmental Toxicology and Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":38,"referenced_works":["https://openalex.org/W45458385","https://openalex.org/W563360778","https://openalex.org/W586325336","https://openalex.org/W1642041838","https://openalex.org/W1966785965","https://openalex.org/W1969576403","https://openalex.org/W1972386919","https://openalex.org/W1975147762","https://openalex.org/W1975650851","https://openalex.org/W1979723565","https://openalex.org/W1991453563","https://openalex.org/W1993636014","https://openalex.org/W1993897314","https://openalex.org/W1998624750","https://openalex.org/W2004644158","https://openalex.org/W2005760831","https://openalex.org/W2008764714","https://openalex.org/W2015282354","https://openalex.org/W2020127060","https://openalex.org/W2023297283","https://openalex.org/W2030967055","https://openalex.org/W2032486480","https://openalex.org/W2039292327","https://openalex.org/W2045082504","https://openalex.org/W2072722925","https://openalex.org/W2073392303","https://openalex.org/W2082138408","https://openalex.org/W2085808198","https://openalex.org/W2094433444","https://openalex.org/W2098029671","https://openalex.org/W2103074863","https://openalex.org/W2120620942","https://openalex.org/W2139353173","https://openalex.org/W2161393112","https://openalex.org/W2738565429","https://openalex.org/W3144234969","https://openalex.org/W4229765253","https://openalex.org/W4253761312"],"related_works":["https://openalex.org/W2051798324","https://openalex.org/W2135897723","https://openalex.org/W2024774210","https://openalex.org/W2379188699","https://openalex.org/W2066921279","https://openalex.org/W2078021064","https://openalex.org/W4289549754","https://openalex.org/W2070246294","https://openalex.org/W2140767372","https://openalex.org/W2005109863"],"abstract_inverted_index":{"Abstract":[0],"An":[1],"acute":[2,44],"fish":[3],"toxicity":[4,45],"model":[5,34],"was":[6,26,71],"constructed":[7],"on":[8],"the":[9,30,68,82],"basis":[10],"of":[11,15,50,56,67],"a":[12],"wide":[13],"series":[14],"experimental":[16],"data":[17],"for":[18,46,48],"guppy.":[19],"The":[20,32,65,73],"Multiple":[21],"Computer-Automated":[22],"Structure":[23],"Evaluation":[24],"program":[25],"used":[27],"to":[28,77,81],"construct":[29],"model.":[31],"created":[33],"possesses":[35],"very":[36],"good":[37],"predictive":[38],"ability.":[39],"It":[40],"can":[41],"correctly":[42],"predict":[43],"guppy":[47],"80%":[49],"compounds":[51],"with":[52],"an":[53],"average":[54],"error":[55],"only":[57],"0.63":[58],"log":[59],"unit":[60],"per":[61],"median":[62],"lethal":[63],"concentration.":[64],"importance":[66],"narcosis":[69,79],"effect":[70],"demonstrated.":[72],"main":[74],"toxicophores,":[75],"corresponding":[76],"polar":[78],"and":[80],"reactive":[83],"chemicals,":[84],"were":[85],"identified.":[86]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2016-06-24T00:00:00"}