{"id":"https://openalex.org/W2039609876","doi":"https://doi.org/10.1021/ci060117s","title":"On Outliers and Activity CliffsWhy QSAR Often Disappoints","display_name":"On Outliers and Activity CliffsWhy QSAR Often Disappoints","publication_year":2006,"publication_date":"2006-07-01","ids":{"openalex":"https://openalex.org/W2039609876","doi":"https://doi.org/10.1021/ci060117s","mag":"2039609876","pmid":"https://pubmed.ncbi.nlm.nih.gov/16859285"},"language":"en","primary_location":{"id":"doi:10.1021/ci060117s","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci060117s","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"editorial","indexed_in":["crossref","pubmed"],"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/A5055069582","display_name":"Gerald M. Maggiora","orcid":"https://orcid.org/0000-0002-1839-2650"},"institutions":[{"id":"https://openalex.org/I138006243","display_name":"University of Arizona","ror":"https://ror.org/03m2x1q45","country_code":"US","type":"education","lineage":["https://openalex.org/I138006243"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Gerald M. Maggiora","raw_affiliation_strings":["University of Arizona Tucson, Arizona"],"affiliations":[{"raw_affiliation_string":"University of Arizona Tucson, Arizona","institution_ids":["https://openalex.org/I138006243"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5055069582"],"corresponding_institution_ids":["https://openalex.org/I138006243"],"apc_list":null,"apc_paid":null,"fwci":18.6182,"has_fulltext":false,"cited_by_count":715,"citation_normalized_percentile":{"value":0.9963419,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"46","issue":"4","first_page":"1535","last_page":"1535"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.993399977684021,"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":0.993399977684021,"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/citation","display_name":"Citation","score":0.700465738773346},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5997942090034485},{"id":"https://openalex.org/keywords/outlier","display_name":"Outlier","score":0.5703210234642029},{"id":"https://openalex.org/keywords/icon","display_name":"Icon","score":0.5460138916969299},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.5452646613121033},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.47868281602859497},{"id":"https://openalex.org/keywords/social-media","display_name":"Social media","score":0.4770902097225189},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.3578926920890808},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.29682624340057373},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.16188254952430725}],"concepts":[{"id":"https://openalex.org/C2778805511","wikidata":"https://www.wikidata.org/wiki/Q1713","display_name":"Citation","level":2,"score":0.700465738773346},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5997942090034485},{"id":"https://openalex.org/C79337645","wikidata":"https://www.wikidata.org/wiki/Q779824","display_name":"Outlier","level":2,"score":0.5703210234642029},{"id":"https://openalex.org/C2778447006","wikidata":"https://www.wikidata.org/wiki/Q1156474","display_name":"Icon","level":2,"score":0.5460138916969299},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.5452646613121033},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.47868281602859497},{"id":"https://openalex.org/C518677369","wikidata":"https://www.wikidata.org/wiki/Q202833","display_name":"Social media","level":2,"score":0.4770902097225189},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.3578926920890808},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.29682624340057373},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.16188254952430725},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ci060117s","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci060117s","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:16859285","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16859285","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 chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.7400000095367432,"display_name":"Climate action","id":"https://metadata.un.org/sdg/13"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W1981078752","https://openalex.org/W2950096120","https://openalex.org/W2088515011","https://openalex.org/W4254011760","https://openalex.org/W1735551483","https://openalex.org/W2017786959","https://openalex.org/W2033257206","https://openalex.org/W2080374959","https://openalex.org/W2083267600"],"abstract_inverted_index":{"ADVERTISEMENT":[0],"RETURN":[1],"TO":[2],"ISSUEEditorialNEXTOn":[3],"Outliers":[4],"and":[5,90,95,124,168,185,201,203,214],"Activity":[6],"CliffsWhy":[7],"QSAR":[8],"Often":[9],"DisappointsGerald":[10],"M.":[11],"MaggioraView":[12],"Author":[13],"Information":[14],"University":[15],"of":[16,55,80,115,141],"Arizona":[17],"Tucson,":[18],"ArizonaCite":[19],"this:":[20],"J.":[21],"Chem.":[22],"Inf.":[23],"Model.":[24],"2006,":[25],"46,":[26],"4,":[27],"1535Publication":[28],"Date":[29],"(Web):July":[30],"24,":[31],"2006Publication":[32],"History":[33],"Published":[34],"online24":[35],"July":[36,40],"2006Published":[37],"inissue":[38],"1":[39],"2006https://pubs.acs.org/doi/10.1021/ci060117shttps://doi.org/10.1021/ci060117seditorialACS":[41],"PublicationsCopyright":[42],"\u00a9":[43],"2006":[44],"American":[45],"Chemical":[46],"Society.":[47],"This":[48,60],"publication":[49,61],"is":[50,62,137,189],"available":[51],"under":[52],"these":[53],"Terms":[54],"Use.":[56],"Request":[57],"reuse":[58],"permissions":[59],"free":[63],"to":[64,102,107],"access":[65],"through":[66],"this":[67,119],"site.":[68],"Learn":[69],"MoreArticle":[70],"Views7967Altmetric-Citations561LEARN":[71],"ABOUT":[72],"THESE":[73],"METRICSArticle":[74],"Views":[75],"are":[76,99,112],"the":[77,108,113,142,153,166,169,174,181,187],"COUNTER-compliant":[78],"sum":[79],"full":[81],"text":[82],"article":[83,147],"downloads":[84],"since":[85],"November":[86],"2008":[87],"(both":[88],"PDF":[89,209],"HTML)":[91],"across":[92],"all":[93],"institutions":[94],"individuals.":[96],"These":[97],"metrics":[98],"regularly":[100],"updated":[101,125],"reflect":[103],"usage":[104],"leading":[105],"up":[106],"last":[109],"few":[110],"days.Citations":[111],"number":[114],"other":[116],"articles":[117],"citing":[118],"article,":[120],"calculated":[121],"by":[122],"Crossref":[123,131],"daily.":[126],"Find":[127,177],"more":[128,178],"information":[129,179],"about":[130,165],"citation":[132],"counts.The":[133],"Altmetric":[134,182],"Attention":[135,183],"Score":[136,184],"a":[138,145,158],"quantitative":[139],"measure":[140],"attention":[143],"that":[144],"research":[146],"has":[148],"received":[149],"online.":[150],"Clicking":[151],"on":[152,180],"donut":[154],"icon":[155],"will":[156],"load":[157],"page":[159],"at":[160],"altmetric.com":[161],"with":[162,197],"additional":[163],"details":[164],"score":[167,188],"social":[170],"media":[171],"presence":[172],"for":[173],"given":[175],"article.":[176],"how":[186],"calculated.":[190],"Share":[191,206],"Add":[192],"toView":[193],"InAdd":[194],"Full":[195],"Text":[196],"ReferenceAdd":[198],"Description":[199],"ExportRISCitationCitation":[200],"abstractCitation":[202],"referencesMore":[204],"Options":[205],"onFacebookTwitterWechatLinked":[207],"InRedditEmail":[208],"(13":[210],"KB)":[211],"Get":[212,220],"e-AlertscloseSUBJECTS:Assays,Bioinformatics":[213],"computational":[215],"biology,Molecular":[216],"modeling,Molecules,Structure":[217],"activity":[218],"relationship":[219],"e-Alerts":[221]},"counts_by_year":[{"year":2026,"cited_by_count":5},{"year":2025,"cited_by_count":30},{"year":2024,"cited_by_count":46},{"year":2023,"cited_by_count":42},{"year":2022,"cited_by_count":40},{"year":2021,"cited_by_count":43},{"year":2020,"cited_by_count":39},{"year":2019,"cited_by_count":35},{"year":2018,"cited_by_count":38},{"year":2017,"cited_by_count":30},{"year":2016,"cited_by_count":39},{"year":2015,"cited_by_count":35},{"year":2014,"cited_by_count":37},{"year":2013,"cited_by_count":50},{"year":2012,"cited_by_count":53}],"updated_date":"2026-03-26T15:22:09.906841","created_date":"2025-10-10T00:00:00"}