{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T12:16:58Z","timestamp":1767961018426,"version":"3.49.0"},"reference-count":40,"publisher":"American Chemical Society (ACS)","issue":"6","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2006,11,1]]},"DOI":"10.1021\/ci060128l","type":"journal-article","created":{"date-parts":[[2006,9,14]],"date-time":"2006-09-14T10:07:57Z","timestamp":1158228477000},"page":"2478-2486","source":"Crossref","is-referenced-by-count":29,"title":["Substructure-Based Support Vector Machine Classifiers for Prediction of Adverse Effects in Diverse Classes of Drugs"],"prefix":"10.1021","volume":"46","author":[{"given":"S.","family":"Bhavani","sequence":"first","affiliation":[{"name":"Applied Research Group, Satyam Computer Services Limited, SID Block, IISc Campus, Bangalore, India, and Bioinformatics Centre & Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560012, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A.","family":"Nagargadde","sequence":"additional","affiliation":[{"name":"Applied Research Group, Satyam Computer Services Limited, SID Block, IISc Campus, Bangalore, India, and Bioinformatics Centre & Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560012, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A.","family":"Thawani","sequence":"additional","affiliation":[{"name":"Applied Research Group, Satyam Computer Services Limited, SID Block, IISc Campus, Bangalore, India, and Bioinformatics Centre & Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560012, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"V.","family":"Sridhar","sequence":"additional","affiliation":[{"name":"Applied Research Group, Satyam Computer Services Limited, SID Block, IISc Campus, Bangalore, India, and Bioinformatics Centre & Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560012, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"N.","family":"Chandra","sequence":"additional","affiliation":[{"name":"Applied Research Group, Satyam Computer Services Limited, SID Block, IISc Campus, Bangalore, India, and Bioinformatics Centre & Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560012, India"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2006,9,14]]},"reference":[{"issue":"10","key":"ci060128lb00001\/ci060128lb00001_1","doi-asserted-by":"crossref","first-page":"454","DOI":"10.1016\/S1359-6446(00)01559-2","volume":"5","author":"Johnson D. E.","year":"2000","journal-title":"Drug Discovery Today"},{"key":"ci060128lb00002\/ci060128lb00002_1","doi-asserted-by":"crossref","first-page":"1433","DOI":"10.1016\/S1359-6446(05)03632-9","volume":"10","author":"Whitebread S.","year":"2005","journal-title":"Drug Discovery Today"},{"key":"ci060128lb00003\/ci060128lb00003_1","doi-asserted-by":"crossref","first-page":"37","DOI":"10.1016\/j.hrthm.2005.08.007","volume":"2","author":"Fitzgerald P. T.","year":"2005","journal-title":"Heart Rhythm"},{"key":"ci060128lb00004\/ci060128lb00004_1","doi-asserted-by":"crossref","first-page":"447","DOI":"10.1038\/nrd1108","volume":"2","author":"Fermini B.","year":"2003","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ci060128lb00005\/ci060128lb00005_1","first-page":"286","volume":"25","author":"De Ponti F.","year":"2002","journal-title":"Drug Saf."},{"issue":"3","key":"ci060128lb00006\/ci060128lb00006_1","first-page":"390","volume":"5","author":"Clark D. E.","year":"2002","journal-title":"Curr. Opin. Drug Discovery Dev."},{"key":"ci060128lb00007\/ci060128lb00007_1","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1016\/j.ddtec.2004.10.004","volume":"1","author":"Recanatini M.","year":"2004","journal-title":"Drug Discovery Today Technol."},{"key":"ci060128lb00008\/ci060128lb00008_1","doi-asserted-by":"crossref","first-page":"1824","DOI":"10.1021\/ja00901a033","volume":"85","author":"Hansch C.","year":"1963","journal-title":"J. Am. Chem. Soc."},{"key":"ci060128lb00009\/ci060128lb00009_1","doi-asserted-by":"crossref","first-page":"1332","DOI":"10.2174\/1568026023392940","volume":"2","author":"Guner F","year":"2002","journal-title":"Curr. Top. Med. Chem."},{"key":"ci060128lb00010\/ci060128lb00010_1","volume-title":"3D QSAR in Drug Design. Theory Methods and Applications","author":"Kubinyi H.","year":"1993"},{"issue":"4","key":"ci060128lb00011\/ci060128lb00011_1","first-page":"58","volume":"8","author":"Oprea T. I.","year":"2004","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ci060128lb00012\/ci060128lb00012_1","first-page":"181","volume":"15","author":"King R. D.","year":"2001","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci060128lb00013\/ci060128lb00013_1","first-page":"600","volume":"7","author":"Xu J.","year":"2002","journal-title":"Molecules"},{"key":"ci060128lb00014\/ci060128lb00014_1","first-page":"14","volume":"26","author":"Burbidge R.","year":"2002","journal-title":"Comput. Chem."},{"key":"ci060128lb00015\/ci060128lb00015_1","volume-title":"Proceedings of the 8th International Conference on Knowledge Discovery and Data Mining","author":"Deshpande M.","year":"2002"},{"key":"ci060128lb00016\/ci060128lb00016_1","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1007\/s10822-005-3785-3","volume":"19","author":"Kriegl J. M.","year":"2005","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci060128lb00017\/ci060128lb00017_1","first-page":"177","volume":"79","author":"Yap C. W.","year":"2004","journal-title":"Toxicol. Sci."},{"key":"ci060128lb00018\/ci060128lb00018_1","first-page":"119","volume":"217","author":"Zhao C. Y.","year":"2006","journal-title":"Toxicology"},{"key":"ci060128lb00019\/ci060128lb00019_1","first-page":"167","volume":"2","author":"Burges C. J. C","year":"1998","journal-title":"Data Min. Knowl. Discuss."},{"key":"ci060128lb00020\/ci060128lb00020_1","first-page":"297","volume":"20","author":"Cortes C.","year":"1995","journal-title":"Mach. Learn."},{"key":"ci060128lb00021\/ci060128lb00021_1","volume-title":"http:\/\/www.arizonacert.org\/medical-pros\/drug-lists\/drug-lists.htm (accessed","author":"Arizona CERT","year":"2006"},{"key":"ci060128lb00022\/ci060128lb00022_1","volume-title":"http:\/\/toxsci.oxfordjournals.org\/cgi\/content\/full\/kfh082\/DC1 (accessed","author":"Td P","year":"2006"},{"key":"ci060128lb00023\/ci060128lb00023_1","volume-title":"http:\/\/www.predictive-toxicology.org\/ptc\/ (accessed","author":"Predictive Toxicology Challenge Data","year":"2006"},{"key":"ci060128lb00024\/ci060128lb00024_1","first-page":"1042","volume":"19","author":"von Grotthuss M.","year":"2003","journal-title":"BMC Bioinf."},{"key":"ci060128lb00025\/ci060128lb00025_1","volume-title":"http:\/\/ligand.info\/ (accessed","author":"Ligand","year":"2006"},{"key":"ci060128lb00026\/ci060128lb00026_1","volume-title":"http:\/\/sourceforge.net\/project\/showfiles.php? group_id=40728) (accessed","author":"Openbabel 0.","year":"2006"},{"issue":"9","key":"ci060128lb00027\/ci060128lb00027_1","doi-asserted-by":"crossref","first-page":"1051","DOI":"10.1109\/TKDE.2004.33","volume":"16","author":"Kuramochi M.","year":"2004","journal-title":"IEEE Trans. Knowl. Data Eng."},{"key":"ci060128lb00028\/ci060128lb00028_1","volume-title":"Proceedings of the 1st International Workshop on Data Management on New Hardware DAMON '05","author":"Ghoting A."},{"key":"ci060128lb00029\/ci060128lb00029_1","volume-title":"http:\/\/glaros.dtc.umn.edu\/gkhome\/pafi\/overview (accessed","author":"Toolkit","year":"2006"},{"key":"ci060128lb00030\/ci060128lb00030_1","volume-title":"http:\/\/www.daylight.com\/dayhtml_tutorials\/languages\/smarts\/index.html (accessed","author":"Tutorial","year":"2006"},{"key":"ci060128lb00031\/ci060128lb00031_1","volume-title":"http:\/\/sourceforge.net\/project\/showfiles.php?group_id= 40728&package_id=100796&release_id=197201 (accessed","author":"Lib","year":"2006"},{"key":"ci060128lb00032\/ci060128lb00032_1","doi-asserted-by":"crossref","first-page":"383","DOI":"10.1080\/10629360412331297407","volume":"15","author":"Helma C","year":"2004","journal-title":"SAR QSAR Environ. Res."},{"key":"ci060128lb00033\/ci060128lb00033_1","volume-title":"Advances in Kernel Methods \u2212 Support Vector Learning","author":"Joachims T.","year":"1999"},{"issue":"18","key":"ci060128lb00034\/ci060128lb00034_1","doi-asserted-by":"crossref","first-page":"808","DOI":"10.1093\/nar\/gki885","volume":"33","author":"Rausch C.","year":"2005","journal-title":"Nucleic Acids Res."},{"key":"ci060128lb00035\/ci060128lb00035_1","volume-title":"http:\/\/www.arizonacert.org\/medical-pros\/drug-lists\/browse-drug-list.cfm?alpha=Z (accessed","author":"Arizona CERT","year":"2006"},{"issue":"22","key":"ci060128lb00036\/ci060128lb00036_1","doi-asserted-by":"crossref","first-page":"12333","DOI":"10.1073\/pnas.210244497","volume":"97","author":"Mitcheson J. S.","year":"2000","journal-title":"Proc. Natl. Acad. Sci."},{"issue":"1","key":"ci060128lb00037\/ci060128lb00037_1","doi-asserted-by":"crossref","first-page":"94","DOI":"10.1517\/17425255.2.1.81","volume":"2","author":"Stansfeld P. J.","year":"2006","journal-title":"Expert Opin. Drug Metab. Toxicol."},{"issue":"2","key":"ci060128lb00038\/ci060128lb00038_1","first-page":"374","volume":"57","author":"Lees-Miller J. P.","year":"2000","journal-title":"Mol. Pharmacol."},{"issue":"11","key":"ci060128lb00039\/ci060128lb00039_1","doi-asserted-by":"crossref","first-page":"10127","DOI":"10.1074\/jbc.M310683200","volume":"279","author":"Fernandez D.","year":"2004","journal-title":"J. Biol. Chem."},{"key":"ci060128lb00040\/ci060128lb00040_1","volume-title":"Proceedings of the Fifteenth International Joint Conference on Artificial Intelligence ({IJCAI}-97","author":"Srinivasan A."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci060128l","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,15]],"date-time":"2023-03-15T06:05:41Z","timestamp":1678860341000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci060128l"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,9,14]]},"references-count":40,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2006,11,1]]}},"alternative-id":["10.1021\/ci060128l"],"URL":"https:\/\/doi.org\/10.1021\/ci060128l","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,9,14]]}}}