{"id":"https://openalex.org/W2522945796","doi":"https://doi.org/10.1186/s13321-016-0164-0","title":"An ensemble model of QSAR tools for regulatory risk assessment","display_name":"An ensemble model of QSAR tools for regulatory risk assessment","publication_year":2016,"publication_date":"2016-09-21","ids":{"openalex":"https://openalex.org/W2522945796","doi":"https://doi.org/10.1186/s13321-016-0164-0","mag":"2522945796","pmid":"https://pubmed.ncbi.nlm.nih.gov/28316646"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-016-0164-0","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-016-0164-0","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-016-0164-0","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-016-0164-0","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5069504457","display_name":"Prachi Pradeep","orcid":"https://orcid.org/0000-0002-9219-4249"},"institutions":[{"id":"https://openalex.org/I1302368450","display_name":"Environmental Protection Agency","ror":"https://ror.org/03tns0030","country_code":"US","type":"government","lineage":["https://openalex.org/I1302368450"]},{"id":"https://openalex.org/I1309191912","display_name":"Research Triangle Park Foundation","ror":"https://ror.org/03eqttr49","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I1309191912"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Prachi Pradeep","raw_affiliation_strings":["National Center for Computational Toxicology (ORISE Fellow), US EPA, Research Triangle Park, NC USA","National Center for Computational Toxicology (ORISE Fellow), US EPA, Research Triangle Park, NC, USA"],"affiliations":[{"raw_affiliation_string":"National Center for Computational Toxicology (ORISE Fellow), US EPA, Research Triangle Park, NC USA","institution_ids":["https://openalex.org/I1309191912"]},{"raw_affiliation_string":"National Center for Computational Toxicology (ORISE Fellow), US EPA, Research Triangle Park, NC, USA","institution_ids":["https://openalex.org/I1309191912","https://openalex.org/I1302368450"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042506983","display_name":"Richard J. Povinelli","orcid":"https://orcid.org/0000-0001-8439-0146"},"institutions":[{"id":"https://openalex.org/I102461120","display_name":"Marquette University","ror":"https://ror.org/04gr4te78","country_code":"US","type":"education","lineage":["https://openalex.org/I102461120"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Richard J. Povinelli","raw_affiliation_strings":["Electrical and Computer Engineering Department, Marquette University, Milwaukee, WI USA","Electrical and Computer Engineering Department, Marquette University, Milwaukee, WI, USA"],"affiliations":[{"raw_affiliation_string":"Electrical and Computer Engineering Department, Marquette University, Milwaukee, WI USA","institution_ids":["https://openalex.org/I102461120"]},{"raw_affiliation_string":"Electrical and Computer Engineering Department, Marquette University, Milwaukee, WI, USA","institution_ids":["https://openalex.org/I102461120"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056038870","display_name":"Shannon M. White","orcid":null},"institutions":[{"id":"https://openalex.org/I184565670","display_name":"Georgetown University","ror":"https://ror.org/05vzafd60","country_code":"US","type":"education","lineage":["https://openalex.org/I184565670"]},{"id":"https://openalex.org/I2799903593","display_name":"Georgetown University Medical Center","ror":"https://ror.org/00hjz7x27","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I2799903593"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shannon White","raw_affiliation_strings":["Lombardi Comprehensive Cancer Center, Georgetown University Medical Center, Washington, DC USA","Lombardi Comprehensive Cancer Center, Georgetown University Medical Center, Washington, DC, USA"],"affiliations":[{"raw_affiliation_string":"Lombardi Comprehensive Cancer Center, Georgetown University Medical Center, Washington, DC USA","institution_ids":["https://openalex.org/I2799903593","https://openalex.org/I184565670"]},{"raw_affiliation_string":"Lombardi Comprehensive Cancer Center, Georgetown University Medical Center, Washington, DC, USA","institution_ids":["https://openalex.org/I2799903593","https://openalex.org/I184565670"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5019574261","display_name":"Stephen J. Merrill","orcid":"https://orcid.org/0000-0002-2975-950X"},"institutions":[{"id":"https://openalex.org/I102461120","display_name":"Marquette University","ror":"https://ror.org/04gr4te78","country_code":"US","type":"education","lineage":["https://openalex.org/I102461120"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Stephen J. Merrill","raw_affiliation_strings":["Department of Mathematics, Statistics, and Computer Science, Marquette University, Milwaukee, WI USA","Department of Mathematics, Statistics, and Computer Science, Marquette University, Milwaukee, WI, USA"],"affiliations":[{"raw_affiliation_string":"Department of Mathematics, Statistics, and Computer Science, Marquette University, Milwaukee, WI USA","institution_ids":["https://openalex.org/I102461120"]},{"raw_affiliation_string":"Department of Mathematics, Statistics, and Computer Science, Marquette University, Milwaukee, WI, USA","institution_ids":["https://openalex.org/I102461120"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5069504457"],"corresponding_institution_ids":["https://openalex.org/I1302368450","https://openalex.org/I1309191912"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":7.5866,"has_fulltext":true,"cited_by_count":64,"citation_normalized_percentile":{"value":0.97382014,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":99},"biblio":{"volume":"8","issue":"1","first_page":"48","last_page":"48"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.998199999332428,"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":0.998199999332428,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.9485749006271362},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.6907076239585876},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6725465655326843},{"id":"https://openalex.org/keywords/applicability-domain","display_name":"Applicability domain","score":0.6486230492591858},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5288406610488892},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.5152149796485901},{"id":"https://openalex.org/keywords/context","display_name":"Context (archaeology)","score":0.5025277137756348},{"id":"https://openalex.org/keywords/ensemble-forecasting","display_name":"Ensemble forecasting","score":0.4929029941558838},{"id":"https://openalex.org/keywords/toolbox","display_name":"Toolbox","score":0.47728052735328674},{"id":"https://openalex.org/keywords/ensemble-learning","display_name":"Ensemble learning","score":0.4525919258594513},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.43518972396850586},{"id":"https://openalex.org/keywords/predictive-modelling","display_name":"Predictive modelling","score":0.4295438826084137},{"id":"https://openalex.org/keywords/bayes-theorem","display_name":"Bayes' theorem","score":0.4249984622001648},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.42123883962631226},{"id":"https://openalex.org/keywords/bayesian-probability","display_name":"Bayesian probability","score":0.3869498372077942},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.22964468598365784},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.17574575543403625},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.11113244295120239}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.9485749006271362},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.6907076239585876},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6725465655326843},{"id":"https://openalex.org/C107908354","wikidata":"https://www.wikidata.org/wiki/Q4781456","display_name":"Applicability domain","level":3,"score":0.6486230492591858},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5288406610488892},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.5152149796485901},{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.5025277137756348},{"id":"https://openalex.org/C119898033","wikidata":"https://www.wikidata.org/wiki/Q3433888","display_name":"Ensemble forecasting","level":2,"score":0.4929029941558838},{"id":"https://openalex.org/C2777655017","wikidata":"https://www.wikidata.org/wiki/Q1501161","display_name":"Toolbox","level":2,"score":0.47728052735328674},{"id":"https://openalex.org/C45942800","wikidata":"https://www.wikidata.org/wiki/Q245652","display_name":"Ensemble learning","level":2,"score":0.4525919258594513},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.43518972396850586},{"id":"https://openalex.org/C45804977","wikidata":"https://www.wikidata.org/wiki/Q7239673","display_name":"Predictive modelling","level":2,"score":0.4295438826084137},{"id":"https://openalex.org/C207201462","wikidata":"https://www.wikidata.org/wiki/Q182505","display_name":"Bayes' theorem","level":3,"score":0.4249984622001648},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.42123883962631226},{"id":"https://openalex.org/C107673813","wikidata":"https://www.wikidata.org/wiki/Q812534","display_name":"Bayesian probability","level":2,"score":0.3869498372077942},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.22964468598365784},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.17574575543403625},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.11113244295120239},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","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/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1186/s13321-016-0164-0","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-016-0164-0","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-016-0164-0","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:28316646","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/28316646","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 cheminformatics","raw_type":null},{"id":"pmh:oai:osti.gov:1375955","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1375955","pdf_url":"https://www.osti.gov/servlets/purl/1375955","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null},{"id":"pmh:oai:epublications.marquette.edu:mscs_fac-1465","is_oa":true,"landing_page_url":"https://epublications.marquette.edu/mscs_fac/464","pdf_url":null,"source":{"id":"https://openalex.org/S4377196305","display_name":"e-publications - Marquette  (Marquette University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I102461120","host_organization_name":"Marquette University","host_organization_lineage":["https://openalex.org/I102461120"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Mathematics, Statistics and Computer Science Faculty Research and Publications","raw_type":"text"},{"id":"pmh:oai:europepmc.org:4205335","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5034616","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/s13321-016-0164-0","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-016-0164-0","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-016-0164-0","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2522945796.pdf","grobid_xml":"https://content.openalex.org/works/W2522945796.grobid-xml"},"referenced_works_count":37,"referenced_works":["https://openalex.org/W1944672","https://openalex.org/W1444168786","https://openalex.org/W1488701596","https://openalex.org/W1564885879","https://openalex.org/W1973195696","https://openalex.org/W1977405994","https://openalex.org/W1981399499","https://openalex.org/W1982177423","https://openalex.org/W1987629972","https://openalex.org/W2000096562","https://openalex.org/W2004495400","https://openalex.org/W2014854068","https://openalex.org/W2016610112","https://openalex.org/W2017581448","https://openalex.org/W2034232683","https://openalex.org/W2035837996","https://openalex.org/W2047785629","https://openalex.org/W2051670380","https://openalex.org/W2053154970","https://openalex.org/W2059390515","https://openalex.org/W2063578659","https://openalex.org/W2066478796","https://openalex.org/W2070442000","https://openalex.org/W2073511756","https://openalex.org/W2084845010","https://openalex.org/W2090999676","https://openalex.org/W2091930973","https://openalex.org/W2095404370","https://openalex.org/W2108285359","https://openalex.org/W2111225402","https://openalex.org/W2113599721","https://openalex.org/W2115629999","https://openalex.org/W2134932622","https://openalex.org/W2155863033","https://openalex.org/W2161136893","https://openalex.org/W2540093921","https://openalex.org/W2963372334"],"related_works":["https://openalex.org/W2891633941","https://openalex.org/W3202800081","https://openalex.org/W3101614107","https://openalex.org/W1909207154","https://openalex.org/W4390971112","https://openalex.org/W3036530763","https://openalex.org/W3124390867","https://openalex.org/W1514365828","https://openalex.org/W3204228978","https://openalex.org/W2155806188"],"abstract_inverted_index":{"Quantitative":[0],"structure":[1,15],"activity":[2],"relationships":[3],"(QSARs)":[4],"are":[5,77],"theoretical":[6],"models":[7,59],"that":[8,187,249],"relate":[9],"a":[10,17,21,82,102,118,171,184,190,226,234,317],"quantitative":[11],"measure":[12],"of":[13,35,50,70,204,228,236,294,302,323],"chemical":[14,30,104,115,318],"to":[16,44,66,85,144,222,312],"physical":[18],"property":[19],"or":[20],"biological":[22],"effect.":[23],"QSAR":[24,58,75,95,154,174],"predictions":[25,100,122,146],"can":[26,141],"be":[27,61,142],"used":[28,143],"for":[29,33,101,182,189,225,284],"risk":[31],"assessment":[32],"protection":[34],"human":[36],"and":[37,64,89,105,126,156,199,219,233,259,264,267,272,275,282],"environmental":[38],"health,":[39],"which":[40],"makes":[41],"them":[42],"interesting":[43],"regulators,":[45],"especially":[46],"in":[47,109,136,192,212,298,315],"the":[48,68,137,159,193,205,237,250,254,286,292,295,299,303,313,321,324],"absence":[49],"experimental":[51],"data.":[52],"For":[53],"compatibility":[54],"with":[55,210],"regulatory":[56,119],"use,":[57],"should":[60,163],"transparent,":[62],"reproducible":[63],"optimized":[65],"minimize":[67],"number":[69],"false":[71],"negatives.":[72],"In":[73,117],"silico":[74,213],"tools":[76,96,214],"gaining":[78],"wide":[79],"acceptance":[80],"as":[81],"faster":[83],"alternative":[84],"otherwise":[86],"time-consuming":[87],"clinical":[88],"animal":[90],"testing":[91],"methods.":[92],"However,":[93],"different":[94,114],"often":[97],"make":[98],"conflicting":[99,121],"given":[103],"may":[106],"also":[107],"vary":[108],"their":[110],"predictive":[111,167,202,300],"performance":[112,203],"across":[113],"datasets.":[116,287],"context,":[120],"raise":[123],"interpretation,":[124],"validation":[125,246],"adequacy":[127],"concerns.":[128],"To":[129],"address":[130],"these":[131],"concerns,":[132],"ensemble":[133,173,206,251,304],"learning":[134,139],"techniques":[135],"machine":[138],"paradigm":[140],"integrate":[145],"from":[147],"multiple":[148],"tools.":[149],"By":[150],"leveraging":[151],"various":[152],"underlying":[153],"algorithms":[155],"training":[157],"datasets,":[158],"resulting":[160],"consensus":[161],"prediction":[162],"yield":[164],"better":[165],"overall":[166],"ability.":[168],"We":[169],"present":[170],"novel":[172],"model":[175,180,197,207,252],"using":[176],"Bayesian":[177],"classification.":[178],"The":[179,201,288],"allows":[181,188],"varying":[183],"cut-off":[185,296],"parameter":[186],"selection":[191],"desirable":[194],"trade-off":[195,256],"between":[196,257],"sensitivity":[198,258],"specificity.":[200],"is":[208],"compared":[209],"four":[211],"(Toxtree,":[215],"Lazar,":[216],"OECD":[217],"Toolbox,":[218],"Danish":[220],"QSAR)":[221],"predict":[223],"carcinogenicity":[224],"dataset":[227],"air":[229],"toxins":[230],"(332":[231],"chemicals)":[232],"subset":[235],"gold":[238],"carcinogenic":[239],"potency":[240],"database":[241],"(480":[242],"chemicals).":[243],"Leave-one-out":[244],"cross":[245],"results":[247],"show":[248],"achieves":[253],"best":[255],"specificity":[260],"(accuracy:":[261],"83.8":[262],"%":[263,271],"80.4":[265],"%,":[266],"balanced":[268],"accuracy:":[269],"80.6":[270],"80.8":[273],"%)":[274],"highest":[276],"inter-rater":[277],"agreement":[278],"[kappa":[279],"(<i>\u03ba</i>):":[280],"0.63":[281],"0.62]":[283],"both":[285],"ROC":[289],"curves":[290],"demonstrate":[291],"utility":[293],"feature":[297,307],"ability":[301],"model.":[305],"This":[306],"provides":[308],"an":[309],"additional":[310],"control":[311],"regulators":[314],"grading":[316],"based":[319],"on":[320],"severity":[322],"toxic":[325],"endpoint":[326],"under":[327],"study.":[328]},"counts_by_year":[{"year":2025,"cited_by_count":7},{"year":2024,"cited_by_count":9},{"year":2023,"cited_by_count":6},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":11},{"year":2019,"cited_by_count":10},{"year":2018,"cited_by_count":6},{"year":2017,"cited_by_count":5}],"updated_date":"2026-04-04T16:13:02.066488","created_date":"2025-10-10T00:00:00"}
