{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T15:41:54Z","timestamp":1759333314564},"reference-count":100,"publisher":"American Chemical Society (ACS)","issue":"5","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2012,5,25]]},"DOI":"10.1021\/ci200429f","type":"journal-article","created":{"date-parts":[[2012,4,8]],"date-time":"2012-04-08T14:51:41Z","timestamp":1333896701000},"page":"1238-1249","source":"Crossref","is-referenced-by-count":6,"title":["Assessing Relative Bioactivity of Chemical Substances Using Quantitative Molecular Network Topology Analysis"],"prefix":"10.1021","volume":"52","author":[{"given":"Anna","family":"Edberg","sequence":"first","affiliation":[{"name":"Division of Food\rData, National Food Agency, SE-75126 Uppsala, Sweden"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Daniel","family":"Soeria-Atmadja","sequence":"additional","affiliation":[{"name":"Division of R&D Information, AstraZeneca Research and Development, SE-15185, S\u00f6dert\u00e4lje, Sweden"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jonas","family":"Bergman Laurila","sequence":"additional","affiliation":[{"name":"Division of Information\rTechnology,\rNational Food Agency, SE-75126 Uppsala, Sweden"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fredrik","family":"Johansson","sequence":"additional","affiliation":[{"name":"Division of Information\rTechnology,\rNational Food Agency, SE-75126 Uppsala, Sweden"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mats G.","family":"Gustafsson","sequence":"additional","affiliation":[{"name":"Division of Cancer Pharmacology and Computational Medicine, Department of Medical Sciences, Uppsala University and Uppsala Academic Hospital, SE-75185 Uppsala, Sweden"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ulf","family":"Hammerling","sequence":"additional","affiliation":[{"name":"Department of Risk Benefit Assessment,\rNational Food Agency, SE-75126 Uppsala, Sweden"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2012,4,24]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"1177","DOI":"10.1517\/17460440903322234","volume":"4","author":"Lee S.","year":"2009","journal-title":"Expert Opin. Drug Discovery"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"147","DOI":"10.1016\/j.drudis.2008.12.005","volume":"14","author":"Yang Y.","year":"2009","journal-title":"Drug Discovery Today"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"D5","DOI":"10.1093\/nar\/gkp967","volume":"38","author":"Sayers E. W.","year":"2010","journal-title":"Nucleic Acids Res."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"447","DOI":"10.1038\/nchembio0807-447","volume":"3","author":"Oprea T. I.","year":"2007","journal-title":"Nat. Chem. Biol."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"303","DOI":"10.1093\/bib\/bbr013","volume":"12","author":"Dudley J. T.","year":"2011","journal-title":"Briefings Bioinf."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"805","DOI":"10.1038\/nbt1228","volume":"24","author":"Paolini G. V.","year":"2006","journal-title":"Nat. Biotechnol."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"1119","DOI":"10.1038\/nbt1338","volume":"25","author":"Yildirim M. A.","year":"2007","journal-title":"Nat. Biotechnol."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1186\/1471-2210-8-5","volume":"8","author":"Nacher J. C.","year":"2008","journal-title":"BMC Pharmacol."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1126\/science.1158140","volume":"321","author":"Campillos M.","year":"2008","journal-title":"Science"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"3103","DOI":"10.1021\/jm801546k","volume":"52","author":"Scheiber J.","year":"2009","journal-title":"J. Med. Chem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"10267","DOI":"10.1021\/bi101540g","volume":"49","author":"Keiser M. J.","year":"2010","journal-title":"Biochemistry"},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"1929","DOI":"10.1126\/science.1132939","volume":"313","author":"Lamb J.","year":"2006","journal-title":"Science"},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"54","DOI":"10.1038\/nrc2044","volume":"7","author":"Lamb J.","year":"2007","journal-title":"Nat. Rev. Cancer"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"14621","DOI":"10.1073\/pnas.1000138107","volume":"107","author":"Iorio F.","year":"2010","journal-title":"Proc. Natl. Acad. Sci. U S A"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"96ra76","DOI":"10.1126\/scitranslmed.3002648","volume":"3","author":"Dudley J. T.","year":"2011","journal-title":"Sci. Transl. Med."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"860","DOI":"10.1016\/j.cell.2011.03.007","volume":"144","author":"Ideker T.","year":"2011","journal-title":"Cell"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"297","DOI":"10.1038\/nrg2750","volume":"11","author":"Hyduke D. R.","year":"2010","journal-title":"Nat. Rev. Genet."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"682","DOI":"10.1038\/nchembio.118","volume":"4","author":"Hopkins A. L.","year":"2008","journal-title":"Nat. Chem. Biol."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"2466","DOI":"10.1093\/bioinformatics\/btp465","volume":"25","author":"Berger S. I.","year":"2009","journal-title":"Bioinformatics"},{"key":"ref20\/cit20","first-page":"133","volume":"11","author":"Fliri A. F.","year":"2011","journal-title":"Discovery Med."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"124","DOI":"10.1038\/msb4100163","volume":"3","author":"Loscalzo J.","year":"2007","journal-title":"Mol. Syst. Biol."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"986","DOI":"10.1016\/j.cell.2011.02.016","volume":"144","author":"Vidal M.","year":"2011","journal-title":"Cell"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"921","DOI":"10.1517\/17460441.2011.603722","volume":"6","author":"Jessulat M.","year":"2011","journal-title":"Expert Opin. Drug Discov."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"R3","DOI":"10.1186\/gb-2010-11-1-r3","volume":"11","author":"Kandasamy K.","year":"2010","journal-title":"Genome Biol."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"290","DOI":"10.1038\/msb.2009.47","volume":"5","author":"Bauer-Mehren A.","year":"2009","journal-title":"Mol. Syst. Biol."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"702","DOI":"10.1093\/bib\/bbq064","volume":"12","author":"Klingstrom T.","year":"2011","journal-title":"Briefings Bioinf."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"e12063","DOI":"10.1371\/journal.pone.0012063","volume":"5","author":"Wallach I.","year":"2010","journal-title":"PLoS ONE"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1186\/1752-0509-5-125","volume":"5","author":"Kleemann R.","year":"2011","journal-title":"BMC Syst. Biol."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"451","DOI":"10.1021\/tx100428e","volume":"24","author":"Judson R. S.","year":"2011","journal-title":"Chem. Res. Toxicol."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"2","DOI":"10.1186\/1759-4499-2-2","volume":"2","author":"Raman K.","year":"2010","journal-title":"Autom. Exp."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"e1000788","DOI":"10.1371\/journal.pcbi.1000788","volume":"6","author":"Audouze K.","year":"2010","journal-title":"PLoS Comput. Biol."},{"issue":"6","key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"S8","DOI":"10.1186\/1471-2105-11-S6-S8","volume":"11","author":"Su J.","year":"2010","journal-title":"BMC Bioinf."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"e1000662","DOI":"10.1371\/journal.pcbi.1000662","volume":"6","author":"Suthram S.","year":"2010","journal-title":"PLoS Comput. Biol."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1016\/j.copbio.2010.05.004","volume":"21","author":"Klipp E.","year":"2010","journal-title":"Curr. Opin. Biotechnol."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"D561","DOI":"10.1093\/nar\/gkq973","volume":"39","author":"Szklarczyk D.","year":"2011","journal-title":"Nucleic Acids Res."},{"issue":"1","key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"S16","DOI":"10.1186\/1471-2164-10-S1-S16","volume":"10","author":"Chen J. Y.","year":"2009","journal-title":"BMC Genomics"},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"D876","DOI":"10.1093\/nar\/gkr1011","volume":"40","author":"Kuhn M.","year":"2012","journal-title":"Nucleic Acids Res."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1186\/1756-0381-4-10","volume":"4","author":"Pavlopoulos G. A.","year":"2011","journal-title":"BioData Min."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"W444","DOI":"10.1093\/nar\/gkn336","volume":"36","author":"Brohee S.","year":"2008","journal-title":"Nucleic Acids Res."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"W438","DOI":"10.1093\/nar\/gkn257","volume":"36","author":"Lin C. Y.","year":"2008","journal-title":"Nucleic Acids Res."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"75","DOI":"10.1038\/nmeth.1282","volume":"6","author":"Wu J.","year":"2009","journal-title":"Nat. Methods"},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"140","DOI":"10.1093\/bioinformatics\/btq606","volume":"27","author":"Mueller L. A.","year":"2011","journal-title":"Bioinformatics"},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"D684","DOI":"10.1093\/nar\/gkm795","volume":"36","author":"Kuhn M.","year":"2008","journal-title":"Nucleic Acids Res."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"293","DOI":"10.1210\/er.2009-0002","volume":"30","author":"Diamanti-Kandarakis E.","year":"2009","journal-title":"Endocr. Rev."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"2881","DOI":"10.1093\/bioinformatics\/btq550","volume":"26","author":"Cheng T.","year":"2010","journal-title":"Bioinformatics"},{"key":"ref46\/cit46","unstructured":"PubChem.http:\/\/pubchem.ncbi.nlm.nih.gov\/assay\/?p=clustering\/(accessed February 8, 2012) ."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"D412","DOI":"10.1093\/nar\/gkn760","volume":"37","author":"Jensen L. J.","year":"2009","journal-title":"Nucleic Acids Res."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"2413","DOI":"10.1093\/bioinformatics\/btg339","volume":"19","author":"Chin C. S.","year":"2003","journal-title":"Bioinformatics"},{"key":"ref49\/cit49","volume-title":"Rank Correlation Methods","author":"Kendall M.","year":"1970"},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"258","DOI":"10.1093\/bioinformatics\/btm550","volume":"24","author":"Jurman G.","year":"2008","journal-title":"Bioinformatics"},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"134","DOI":"10.1137\/S0895480102412856","volume":"17","author":"Fagin R.","year":"2003","journal-title":"SIAM J. Discrete Math."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","unstructured":"Lamrous, S.; Taileb, M.Divisive Hierarchical K-Means. In International Conference on Computational Intelligence for Modelling, Control and Automation, and International Conference on Intelligent Agents, Web Technologies and Internet Commerce (CIMCA-IAWTIC\u201906), Sidney, Australia, Nov. 28\u2013Dec. 06, 2006;IEEE Computer Society, 2007, c1, p18.","DOI":"10.1109\/CIMCA.2006.89"},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"2830","DOI":"10.1016\/j.fct.2011.08.002","volume":"49","author":"Maddah F.","year":"2011","journal-title":"Food Chem. Toxicol."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1002\/wcms.1","volume":"1","author":"Willett P.","year":"2011","journal-title":"WIREs Comput. Mol. Sci."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"312","DOI":"10.1093\/toxsci\/kfn190","volume":"106","author":"Edwards S. W.","year":"2008","journal-title":"Toxicol. Sci."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1038\/msb.2008.22","volume":"4","author":"Yildirim M. A.","year":"2008","journal-title":"Mol. Syst. Biol."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"279","DOI":"10.1081\/DMR-55225","volume":"37","author":"Wishart D. S.","year":"2005","journal-title":"Drug Metab. Rev."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1186\/1471-2105-11-255","volume":"11","author":"Chen B.","year":"2010","journal-title":"BMC Bioinf."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"1714","DOI":"10.1289\/ehp.1002180","volume":"118","author":"Reif D. M.","year":"2010","journal-title":"Environ. Health Perspect."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"485","DOI":"10.1289\/ehp.0901392","volume":"118","author":"Judson R. S.","year":"2010","journal-title":"Environ. Health Perspect."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1126\/science.275.5298.343","volume":"275","author":"Weinstein J. N.","year":"1997","journal-title":"Science"},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"1451","DOI":"10.1158\/1535-7163.MCT-10-0106","volume":"9","author":"Holbeck S. L.","year":"2010","journal-title":"Mol. Cancer Ther."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"443","DOI":"10.1593\/neo.07292","volume":"9","author":"Rhodes D. R.","year":"2007","journal-title":"Neoplasia"},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1049\/ip-syb:20050036","volume":"152","author":"Berg E. L.","year":"2005","journal-title":"Syst. Biol. (Stevenage)"},{"key":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"539","DOI":"10.1016\/j.cbpa.2009.09.018","volume":"13","author":"Wagner B. K.","year":"2009","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ref66\/cit66","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1038\/nmeth.1280","volume":"6","author":"Venkatesan K.","year":"2009","journal-title":"Nat. Methods"},{"key":"ref67\/cit67","doi-asserted-by":"crossref","first-page":"e1000550","DOI":"10.1371\/journal.pcbi.1000550","volume":"5","author":"Hase T.","year":"2009","journal-title":"PLoS Comput. Biol."},{"key":"ref68\/cit68","doi-asserted-by":"crossref","first-page":"e59","DOI":"10.1371\/journal.pcbi.0030059","volume":"3","author":"Yu H.","year":"2007","journal-title":"PLoS Comput. Biol."},{"key":"ref69\/cit69","doi-asserted-by":"crossref","first-page":"563","DOI":"10.1038\/clpt.2008.129","volume":"84","author":"Hwang W. C.","year":"2008","journal-title":"Clin. Pharmacol. Ther."},{"key":"ref70\/cit70","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1016\/j.drudis.2007.01.011","volume":"12","author":"Eckert H.","year":"2007","journal-title":"Drug Discovery Today"},{"key":"ref71\/cit71","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1007\/978-1-60761-839-3_5","volume":"672","author":"Willett P.","year":"2011","journal-title":"Methods Mol. Biol."},{"key":"ref72\/cit72","doi-asserted-by":"crossref","first-page":"258","DOI":"10.1186\/1471-2105-9-258","volume":"9","author":"Zhang S. D.","year":"2008","journal-title":"BMC Bioinf"},{"key":"ref73\/cit73","doi-asserted-by":"crossref","first-page":"96ra77","DOI":"10.1126\/scitranslmed.3001318","volume":"3","author":"Sirota M.","year":"2011","journal-title":"Sci. Transl. Med."},{"key":"ref74\/cit74","doi-asserted-by":"crossref","first-page":"96ps35","DOI":"10.1126\/scitranslmed.3001512","volume":"3","author":"Lussier Y. A.","year":"2011","journal-title":"Sci. Transl. Med."},{"key":"ref75\/cit75","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/S0303-7207(02)00094-1","volume":"193","author":"Paris F.","year":"2002","journal-title":"Mol. Cell. Endocrinol."},{"key":"ref76\/cit76","doi-asserted-by":"crossref","first-page":"14","DOI":"10.1093\/toxsci\/kfh147","volume":"80","author":"Mueller S. O.","year":"2004","journal-title":"Toxicol. Sci."},{"key":"ref77\/cit77","doi-asserted-by":"crossref","first-page":"1037","DOI":"10.1093\/humrep\/16.5.1037","volume":"16","author":"Leffers H.","year":"2001","journal-title":"Hum. Reprod."},{"key":"ref78\/cit78","doi-asserted-by":"crossref","first-page":"431","DOI":"10.1016\/j.jsbmb.2004.12.041","volume":"94","author":"Matsumura A.","year":"2005","journal-title":"J. Steroid Biochem. Mol. Biol."},{"issue":"1","key":"ref79\/cit79","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1289\/ehp.9368","volume":"115","author":"Bonefeld-Jorgensen E. C.","year":"2007","journal-title":"Environ. Health Perspect."},{"key":"ref80\/cit80","doi-asserted-by":"crossref","first-page":"178","DOI":"10.1111\/j.1365-2605.2007.00861.x","volume":"31","author":"Wilson V. S.","year":"2008","journal-title":"Int. J. Androl."},{"key":"ref81\/cit81","doi-asserted-by":"crossref","first-page":"578","DOI":"10.1021\/tx900325g","volume":"23","author":"Martin M. T.","year":"2010","journal-title":"Chem. Res. Toxicol."},{"key":"ref82\/cit82","doi-asserted-by":"crossref","first-page":"6","DOI":"10.1021\/tx100231n","volume":"24","author":"Shanle E. K.","year":"2011","journal-title":"Chem. Res. Toxicol."},{"key":"ref83\/cit83","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1002\/mnfr.200800148","volume":"53","author":"Shakibaei M.","year":"2009","journal-title":"Mol. Nutr. Food Res."},{"issue":"1","key":"ref84\/cit84","doi-asserted-by":"crossref","first-page":"S311","DOI":"10.1007\/s11259-008-9136-9","volume":"32","author":"Severino L.","year":"2008","journal-title":"Vet. Res. Commun."},{"key":"ref85\/cit85","doi-asserted-by":"crossref","first-page":"579","DOI":"10.1021\/tx100457h","volume":"24","author":"Lv L.","year":"2011","journal-title":"Chem. Res. Toxicol."},{"key":"ref86\/cit86","doi-asserted-by":"crossref","first-page":"1219","DOI":"10.1007\/s00018-009-0249-2","volume":"67","author":"le Maire A.","year":"2010","journal-title":"Cell. Mol. Life Sci."},{"key":"ref87\/cit87","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1093\/toxsci\/kfp288","volume":"115","author":"Watson C. S.","year":"2010","journal-title":"Toxicol. Sci."},{"key":"ref88\/cit88","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1016\/j.jsbmb.2006.09.017","volume":"102","author":"Thomas P.","year":"2006","journal-title":"J. Steroid Biochem. Mol. Biol."},{"key":"ref89\/cit89","doi-asserted-by":"crossref","first-page":"85","DOI":"10.1016\/j.taap.2009.01.006","volume":"236","author":"Boehme K.","year":"2009","journal-title":"Toxicol. Appl. Pharmacol."},{"key":"ref90\/cit90","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1007\/s11154-007-9034-4","volume":"8","author":"Swaby R. F.","year":"2007","journal-title":"Rev. Endocr. Metab. Disord."},{"key":"ref91\/cit91","doi-asserted-by":"crossref","first-page":"1017","DOI":"10.1677\/erc.1.00905","volume":"12","author":"Martin L. A.","year":"2005","journal-title":"Endocr. Relat. Cancer"},{"key":"ref92\/cit92","doi-asserted-by":"crossref","first-page":"317","DOI":"10.1111\/j.1600-0463.2005.apm_113502.x","volume":"113","author":"Erlandsson M. C.","year":"2005","journal-title":"Apmis"},{"key":"ref93\/cit93","doi-asserted-by":"crossref","first-page":"3542","DOI":"10.2174\/092986710792927813","volume":"17","author":"Lorand T.","year":"2010","journal-title":"Curr. Med. Chem."},{"key":"ref94\/cit94","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1055\/s-2005-864092","volume":"71","author":"Basly J. P.","year":"2005","journal-title":"Planta Med."},{"key":"ref95\/cit95","doi-asserted-by":"crossref","first-page":"140","DOI":"10.1111\/j.1365-2605.2005.00563.x","volume":"29","author":"Foster P. M.","year":"2006","journal-title":"Int. J. Androl."},{"key":"ref96\/cit96","doi-asserted-by":"crossref","first-page":"211","DOI":"10.2147\/vhrm.2007.3.2.211","volume":"3","author":"Pfutzner A.","year":"2007","journal-title":"Vasc. Health Risk. Manag."},{"key":"ref97\/cit97","doi-asserted-by":"crossref","first-page":"26","DOI":"10.4093\/dmj.2011.35.1.26","volume":"35","author":"Yoon K. H.","year":"2011","journal-title":"Diabetes Metab. J."},{"key":"ref98\/cit98","doi-asserted-by":"crossref","first-page":"8038","DOI":"10.1021\/jm901001p","volume":"52","author":"Fliri A. F.","year":"2009","journal-title":"J. Med. Chem."},{"key":"ref99\/cit99","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1038\/nbt1284","volume":"25","author":"Keiser M. J.","year":"2007","journal-title":"Nat. Biotechnol."},{"key":"ref100\/cit100","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1016\/j.taap.2008.05.007","volume":"231","author":"Nigsch F.","year":"2008","journal-title":"Toxicol. Appl. Pharmacol."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci200429f","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T13:11:41Z","timestamp":1681737101000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci200429f"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,4,24]]},"references-count":100,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2012,5,25]]}},"alternative-id":["10.1021\/ci200429f"],"URL":"https:\/\/doi.org\/10.1021\/ci200429f","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2012,4,24]]}}}