{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T01:57:47Z","timestamp":1791251867388,"version":"4.1.0"},"reference-count":15,"publisher":"Elsevier BV","issue":"5","license":[{"start":{"date-parts":[[2007,5,1]],"date-time":"2007-05-01T00:00:00Z","timestamp":1177977600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2007,5,1]],"date-time":"2007-05-01T00:00:00Z","timestamp":1177977600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2013,7,17]],"date-time":"2013-07-17T00:00:00Z","timestamp":1374019200000},"content-version":"vor","delay-in-days":2269,"URL":"http:\/\/www.elsevier.com\/open-access\/userlicense\/1.0\/"}],"content-domain":{"domain":["cell.com","elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Chemistry & Biology"],"published-print":{"date-parts":[[2007,5]]},"DOI":"10.1016\/j.chembiol.2007.03.011","type":"journal-article","created":{"date-parts":[[2007,5,30]],"date-time":"2007-05-30T07:58:18Z","timestamp":1180511898000},"page":"489-497","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":60,"title":["Molecular Similarity Analysis Uncovers Heterogeneous Structure-Activity Relationships and Variable Activity Landscapes"],"prefix":"10.1016","volume":"14","author":[{"given":"Lisa","family":"Peltason","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"J\u00fcrgen","family":"Bajorath","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.chembiol.2007.03.011_bib1","doi-asserted-by":"crossref","first-page":"360","DOI":"10.1016\/S1367-5931(00)00215-5","article-title":"Chemical genetic approaches for the elucidation of signaling pathways","volume":"5","author":"Alaimo","year":"2001","journal-title":"Curr. Opin. Chem. Biol."},{"key":"10.1016\/j.chembiol.2007.03.011_bib2","doi-asserted-by":"crossref","first-page":"824","DOI":"10.1038\/nature03192","article-title":"Chemical space and biology","volume":"432","author":"Dobson","year":"2004","journal-title":"Nature"},{"key":"10.1016\/j.chembiol.2007.03.011_bib3","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/j.cbpa.2004.10.009","article-title":"Using genome-wide transcription profiling to elucidate small-molecule mechanism","volume":"9","author":"Butcher","year":"2005","journal-title":"Curr. Opin. Chem. Biol."},{"key":"10.1016\/j.chembiol.2007.03.011_bib4","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1007\/s001090000084","article-title":"Recent developments in structure-based drug design","volume":"78","author":"Klebe","year":"2000","journal-title":"J. Mol. Med."},{"key":"10.1016\/j.chembiol.2007.03.011_bib5","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1016\/j.drudis.2007.01.011","article-title":"Molecular similarity analysis in virtual screening","volume":"12","author":"Eckert","year":"2007","journal-title":"Drug Discov. Today"},{"key":"10.1016\/j.chembiol.2007.03.011_bib6","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1023\/A:1027221424359","article-title":"Similarity and dissimilarity. A medicinal chemist's view","volume":"9\u201311","author":"Kubinyi","year":"1998","journal-title":"Perspect. Drug Discov. Des."},{"key":"10.1016\/j.chembiol.2007.03.011_bib7","doi-asserted-by":"crossref","first-page":"882","DOI":"10.1038\/nrd941","article-title":"Integration of virtual and high-throughput screening","volume":"1","author":"Bajorath","year":"2002","journal-title":"Nat. Rev. Drug Discov."},{"key":"10.1016\/j.chembiol.2007.03.011_bib8","doi-asserted-by":"crossref","first-page":"1162","DOI":"10.1002\/qsar.200610091","article-title":"Scaffold hopping. How far can we jump?","volume":"25","author":"Schneider","year":"2006","journal-title":"QSAR Comb. Sci."},{"key":"10.1016\/j.chembiol.2007.03.011_bib9","doi-asserted-by":"crossref","first-page":"2977","DOI":"10.1021\/jm030580l","article-title":"The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures","volume":"47","author":"Wang","year":"2004","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.chembiol.2007.03.011_bib10","doi-asserted-by":"crossref","first-page":"4111","DOI":"10.1021\/jm048957q","article-title":"The PDBbind database: methodologies and updates","volume":"48","author":"Wang","year":"2005","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.chembiol.2007.03.011_bib11","doi-asserted-by":"crossref","first-page":"1535","DOI":"10.1021\/ci060117s","article-title":"On outliers and activity cliffs\u2014why QSAR often disappoints","volume":"46","author":"Maggiora","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.chembiol.2007.03.011_bib12","doi-asserted-by":"crossref","first-page":"6716","DOI":"10.1021\/jm060167o","article-title":"Do structurally similar molecules bind in a similar fashion?","volume":"49","author":"Bostr\u00f6m","year":"2006","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.chembiol.2007.03.011_bib13","doi-asserted-by":"crossref","first-page":"4183","DOI":"10.1021\/jm0582165","article-title":"Searching techniques for databases of two- and three-dimensional chemical structures","volume":"48","author":"Willett","year":"2005","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.chembiol.2007.03.011_bib14","doi-asserted-by":"crossref","first-page":"1483","DOI":"10.1021\/jm0002634","article-title":"Flexible alignment of small molecules","volume":"44","author":"Labute","year":"2001","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.chembiol.2007.03.011_bib15","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1093\/nar\/28.1.235","article-title":"The Protein Data Bank","volume":"28","author":"Berman","year":"2000","journal-title":"Nucleic Acids Res."}],"container-title":["Chemistry & Biology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1074552107001081?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1074552107001081?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,21]],"date-time":"2025-10-21T07:08:49Z","timestamp":1761030529000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1074552107001081"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2007,5]]},"references-count":15,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2007,5]]}},"alternative-id":["S1074552107001081"],"URL":"https:\/\/doi.org\/10.1016\/j.chembiol.2007.03.011","relation":{},"ISSN":["1074-5521"],"issn-type":[{"value":"1074-5521","type":"print"}],"subject":[],"published":{"date-parts":[[2007,5]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Molecular Similarity Analysis Uncovers Heterogeneous Structure-Activity Relationships and Variable Activity Landscapes","name":"articletitle","label":"Article Title"},{"value":"Chemistry & Biology","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.chembiol.2007.03.011","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"Copyright \u00a9 2007 Elsevier Ltd. All rights reserved.","name":"copyright","label":"Copyright"}]}}