{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T16:50:23Z","timestamp":1786985423677,"version":"build-2736575974"},"reference-count":91,"publisher":"Elsevier BV","issue":"11","license":[{"start":{"date-parts":[[2013,6,1]],"date-time":"2013-06-01T00:00:00Z","timestamp":1370044800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2013,6,1]],"date-time":"2013-06-01T00:00:00Z","timestamp":1370044800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic & Medicinal Chemistry"],"published-print":{"date-parts":[[2013,6]]},"DOI":"10.1016\/j.bmc.2013.03.032","type":"journal-article","created":{"date-parts":[[2013,3,29]],"date-time":"2013-03-29T13:16:22Z","timestamp":1364562982000},"page":"3127-3137","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":23,"title":["Inhibitors for the hepatitis C virus RNA polymerase explored by SAR with advanced machine learning methods"],"prefix":"10.1016","volume":"21","author":[{"given":"Iwona E.","family":"Weidlich","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Igor V.","family":"Filippov","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jodian","family":"Brown","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Neerja","family":"Kaushik-Basu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ramalingam","family":"Krishnan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marc C.","family":"Nicklaus","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ian F.","family":"Thorpe","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.bmc.2013.03.032_b0005","first-page":"43","volume":"10","author":"Tossing","year":"2005","journal-title":"Eur. J. Med. Res."},{"key":"10.1016\/j.bmc.2013.03.032_b0010","doi-asserted-by":"crossref","first-page":"S135","DOI":"10.1002\/hep.1840360718","volume":"36","author":"Chander","year":"2002","journal-title":"Hepatology"},{"key":"10.1016\/j.bmc.2013.03.032_b0015","doi-asserted-by":"crossref","first-page":"826","DOI":"10.3390\/v2040826","volume":"2","author":"Delang","year":"2010","journal-title":"Viruses"},{"key":"10.1016\/j.bmc.2013.03.032_b0020","doi-asserted-by":"crossref","first-page":"4949","DOI":"10.1021\/jm1003792","volume":"53","author":"McGuigan","year":"2010","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0025","doi-asserted-by":"crossref","first-page":"958","DOI":"10.1016\/S0140-6736(01)06102-5","volume":"358","author":"Manns","year":"2001","journal-title":"Lancet"},{"key":"10.1016\/j.bmc.2013.03.032_b0030","doi-asserted-by":"crossref","first-page":"286","DOI":"10.2174\/157018009788452483","volume":"6","author":"Singh","year":"2009","journal-title":"Lett. Drug Des. Discov."},{"key":"10.1016\/j.bmc.2013.03.032_b0035","doi-asserted-by":"crossref","first-page":"662","DOI":"10.1021\/ci9004749","volume":"50","author":"Musmuca","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.bmc.2013.03.032_b0040","doi-asserted-by":"crossref","first-page":"294","DOI":"10.1186\/1471-2105-12-294","volume":"12","author":"Liu","year":"2011","journal-title":"BMC Bioinformatics"},{"key":"10.1016\/j.bmc.2013.03.032_b0045","doi-asserted-by":"crossref","first-page":"3310","DOI":"10.1093\/bioinformatics\/btp589","volume":"25","author":"Li","year":"2009","journal-title":"Bioinformatics"},{"key":"10.1016\/j.bmc.2013.03.032_b0050","doi-asserted-by":"crossref","first-page":"465","DOI":"10.1021\/ci700193u","volume":"48","author":"Xie","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.bmc.2013.03.032_b0055","unstructured":"http:\/\/pubchem.ncbi.nlm.nih.gov\/assay\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0060","unstructured":"The process of making this Roadmap file is available from cactus website."},{"key":"10.1016\/j.bmc.2013.03.032_b0065","unstructured":"http:\/\/cactus.nci.nih.gov\/download\/roadmap\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0070","doi-asserted-by":"crossref","first-page":"5085","DOI":"10.1016\/j.bmcl.2004.07.075","volume":"14","author":"Stansfield","year":"2004","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0075","doi-asserted-by":"crossref","first-page":"1553","DOI":"10.1016\/j.bmcl.2005.01.076","volume":"15","author":"Burton","year":"2005","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0080","doi-asserted-by":"crossref","first-page":"5336","DOI":"10.1021\/jm0494669","volume":"47","author":"Summa","year":"2004","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0085","doi-asserted-by":"crossref","first-page":"6304","DOI":"10.1021\/jm0504454","volume":"48","author":"Di Santo","year":"2005","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0090","doi-asserted-by":"crossref","first-page":"457","DOI":"10.1016\/j.bmcl.2005.08.114","volume":"16","author":"Gopalsamy","year":"2006","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0095","doi-asserted-by":"crossref","first-page":"1034","DOI":"10.1021\/jm050859x","volume":"49","author":"Powers","year":"2006","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0100","doi-asserted-by":"crossref","first-page":"2205","DOI":"10.1016\/j.bmcl.2006.01.034","volume":"16","author":"Evans","year":"2006","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0105","doi-asserted-by":"crossref","first-page":"3052","DOI":"10.1021\/jm060168g","volume":"49","author":"Gopalsamy","year":"2006","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0110","doi-asserted-by":"crossref","first-page":"6646","DOI":"10.1021\/jm060854f","volume":"49","author":"Summa","year":"2006","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0115","doi-asserted-by":"crossref","first-page":"967","DOI":"10.1016\/j.bmcl.2003.12.032","volume":"14","author":"Beaulieu","year":"2004","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0120","doi-asserted-by":"crossref","first-page":"119","DOI":"10.1016\/j.bmcl.2003.10.023","volume":"14","author":"Pace","year":"2004","journal-title":"Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0125","doi-asserted-by":"crossref","first-page":"1283","DOI":"10.1021\/jm0340400","volume":"46","author":"Chan","year":"2003","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0130","doi-asserted-by":"crossref","first-page":"2481","DOI":"10.1016\/j.bmcl.2005.03.066","volume":"15","author":"Pfefferkorn","year":"2005","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0135","doi-asserted-by":"crossref","first-page":"1107","DOI":"10.1016\/j.bmcl.2004.12.030","volume":"15","author":"Mashino","year":"2005","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0140","doi-asserted-by":"crossref","first-page":"4221","DOI":"10.1016\/j.bmcl.2004.06.013","volume":"14","author":"Gopalsamy","year":"2004","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0150","doi-asserted-by":"crossref","first-page":"3969","DOI":"10.1021\/jm0704447","volume":"50","author":"Li","year":"2007","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0155","doi-asserted-by":"crossref","first-page":"3642","DOI":"10.1016\/j.bmcl.2009.05.004","volume":"19","author":"Vicente","year":"2009","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0160","doi-asserted-by":"crossref","first-page":"1255","DOI":"10.1021\/jm8014537","volume":"52","author":"Li","year":"2009","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0165","doi-asserted-by":"crossref","first-page":"857","DOI":"10.1016\/j.bmcl.2009.12.101","volume":"20","author":"Beaulieu","year":"2010","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0170","doi-asserted-by":"crossref","first-page":"422","DOI":"10.1093\/nar\/gkh160","volume":"32","author":"McKercher","year":"2004","journal-title":"Nucleic Acids"},{"key":"10.1016\/j.bmc.2013.03.032_b0175","doi-asserted-by":"crossref","first-page":"4834","DOI":"10.1016\/j.bmcl.2006.06.065","volume":"16","author":"Li","year":"2006","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0180","doi-asserted-by":"crossref","first-page":"6950","DOI":"10.1021\/jm060269e","volume":"49","author":"Hirashima","year":"2006","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0185","doi-asserted-by":"crossref","first-page":"1283","DOI":"10.1021\/jm0340400","volume":"46","author":"Chan","year":"2003","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0190","doi-asserted-by":"crossref","first-page":"14","DOI":"10.1021\/jm0342109","volume":"47","author":"Summa","year":"2004","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0195","doi-asserted-by":"crossref","first-page":"797","DOI":"10.1016\/j.bmcl.2003.10.068","volume":"14","author":"Chan","year":"2004","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0200","doi-asserted-by":"crossref","first-page":"740","DOI":"10.1021\/ci800067r","volume":"49","author":"Filippov","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.bmc.2013.03.032_b0205","unstructured":"https:\/\/www.ebi.ac.uk\/chembl."},{"key":"10.1016\/j.bmc.2013.03.032_b0210","unstructured":"http:\/\/pharmaexpert.ru\/passonline."},{"key":"10.1016\/j.bmc.2013.03.032_b0215","unstructured":"Phase, Schr\u00f6dinger 2011."},{"key":"10.1016\/j.bmc.2013.03.032_b0220","unstructured":"http:\/\/creativemachines.cornell.edu\/eureqa."},{"key":"10.1016\/j.bmc.2013.03.032_b0225","unstructured":"http:\/\/rdkit.org\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0230","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1023\/A:1010933404324","volume":"45","author":"Breiman","year":"2001","journal-title":"Mach. Learn."},{"key":"10.1016\/j.bmc.2013.03.032_b0235","unstructured":"http:\/\/code.google.com\/p\/rdkit\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0240","unstructured":"http:\/\/accelrys.com\/products\/pipeline-pilot\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0245","unstructured":"http:\/\/code.google.com\/p\/rdkit\/wiki\/ExplainingMorganFingerprintBits."},{"key":"10.1016\/j.bmc.2013.03.032_b0250","unstructured":"http:\/\/chembench.mml.unc.edu\/theme\/kNNQSAR.pdf,page6."},{"key":"10.1016\/j.bmc.2013.03.032_b0255","unstructured":"http:\/\/en.wikipedia.org\/wiki\/KNN."},{"key":"10.1016\/j.bmc.2013.03.032_b0260","doi-asserted-by":"crossref","first-page":"1189","DOI":"10.1021\/ci100176x","volume":"50","author":"Fourches","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.bmc.2013.03.032_b0265","doi-asserted-by":"crossref","first-page":"2094","DOI":"10.1021\/ci100253r","volume":"50","author":"Sushko","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.bmc.2013.03.032_b0270","unstructured":"http:\/\/www-935.ibm.com\/services\/us\/gbs\/bao\/siip\/nih\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0275","unstructured":"http:\/\/www.chemspider.com\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0280","unstructured":"http:\/\/xemistry.com\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0285","unstructured":"http:\/\/openbabel.org\/wiki\/Main_Page."},{"key":"10.1016\/j.bmc.2013.03.032_b0290","unstructured":"http:\/\/zinc.docking.org\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0295","unstructured":"http:\/\/www.chemnavigator.com\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0300","unstructured":"https:\/\/www.emolecules.com\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0305","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1016\/j.antiviral.2010.08.014","volume":"88","author":"Rigat","year":"2010","journal-title":"Antiviral Res."},{"key":"10.1016\/j.bmc.2013.03.032_b0310","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1093\/nar\/28.1.235","volume":"28","author":"Berman","year":"2000","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.bmc.2013.03.032_b0315","doi-asserted-by":"crossref","first-page":"9489","DOI":"10.1074\/jbc.M209397200","volume":"278","author":"Wang","year":"2003","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0320","doi-asserted-by":"crossref","first-page":"5217","DOI":"10.1021\/jm900517t","volume":"52","author":"Ontoria","year":"2009","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0325","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/j.jmb.2006.05.074","volume":"361","author":"Biswal","year":"2006","journal-title":"J. Mol. Biol."},{"key":"10.1016\/j.bmc.2013.03.032_b0330","doi-asserted-by":"crossref","first-page":"2923","DOI":"10.1128\/JVI.01980-09","volume":"84","author":"Nyanguile","year":"2010","journal-title":"J. Virol."},{"key":"10.1016\/j.bmc.2013.03.032_b0335","doi-asserted-by":"crossref","first-page":"4834","DOI":"10.1016\/j.bmcl.2006.06.065","volume":"16","author":"Li","year":"2006","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0340","doi-asserted-by":"crossref","first-page":"1255","DOI":"10.1021\/jm8014537","volume":"52","author":"Li","year":"2009","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0345","doi-asserted-by":"crossref","first-page":"6404","DOI":"10.1016\/j.bmcl.2009.09.045","volume":"19","author":"Ruebsam","year":"2009","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0350","doi-asserted-by":"crossref","first-page":"5652","DOI":"10.1016\/j.bmcl.2009.08.022","volume":"19","author":"Vicente","year":"2009","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0355","doi-asserted-by":"crossref","first-page":"5635","DOI":"10.1016\/j.bmcl.2008.08.094","volume":"18","author":"Dragovich","year":"2008","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0360","unstructured":"NRB\u2014number of rotatable bonds; NAR\u2014number of aromatic rings; NHA\u2014number of hydrogen bond acceptors; NHD\u2014number of hydrogen bond donors; MW\u2014molecule weight; PSA\u2014polar surface area."},{"key":"10.1016\/j.bmc.2013.03.032_b0365","unstructured":"GLIDE, Schr\u00f6dinger, LLC, New York, NY, 2011."},{"key":"10.1016\/j.bmc.2013.03.032_b0370","unstructured":"Chemical Computing Group\u2019s Molecular Operating Environment (MOE), 2010."},{"key":"10.1016\/j.bmc.2013.03.032_b0375","unstructured":"http:\/\/stitch.embl.de\/cgi\/show_input_page.pl."},{"key":"10.1016\/j.bmc.2013.03.032_b0380","unstructured":"http:\/\/www.accessdata.fda.gov\/scripts\/cder\/drugsatfda\/index.cfm."},{"key":"10.1016\/j.bmc.2013.03.032_b0385","unstructured":"http:\/\/nih-pipeline.citeline.com\/CpAccount.aspx."},{"key":"10.1016\/j.bmc.2013.03.032_b0390","unstructured":"http:\/\/sideeffects.embl.de\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0395","unstructured":"http:\/\/www.drugcite.com\/."},{"key":"10.1016\/j.bmc.2013.03.032_b0400","first-page":"159","volume":"55","author":"Tuncer","year":"2003","journal-title":"Exp. Toxicol. Pathol."},{"key":"10.1016\/j.bmc.2013.03.032_b0405","first-page":"1100","volume":"56","author":"Ueki","year":"2009","journal-title":"Hepatogastroenterology"},{"key":"10.1016\/j.bmc.2013.03.032_b0410","unstructured":"http:\/\/en.wikipedia.org\/wiki\/Hepatic_stellate_cell."},{"key":"10.1016\/j.bmc.2013.03.032_b0415","unstructured":"http:\/\/clinicaltrials.gov\/ct2\/results?term=candesartan+cilexetil&Search=Search."},{"key":"10.1016\/j.bmc.2013.03.032_b0420","doi-asserted-by":"crossref","first-page":"1413","DOI":"10.1016\/j.bmcl.2008.01.007","volume":"18","author":"Zhou","year":"2008","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0425","doi-asserted-by":"crossref","first-page":"3446","DOI":"10.1016\/j.bmcl.2008.02.072","volume":"18","author":"Li","year":"2008","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2013.03.032_b0430","article-title":"Biotechnology: Pharmaceutical Aspects","volume":"Vol. V","author":"Borchardt","year":"2007"},{"key":"10.1016\/j.bmc.2013.03.032_b0435","unstructured":"http:\/\/en.wikipedia.org\/wiki\/Candesartan_cilexetil."},{"key":"10.1016\/j.bmc.2013.03.032_b0440","doi-asserted-by":"crossref","first-page":"2265","DOI":"10.2174\/156802611797183230","volume":"11","author":"Huttunen","year":"2011","journal-title":"Curr. Top. Med. Chem."},{"key":"10.1016\/j.bmc.2013.03.032_b0445","doi-asserted-by":"crossref","first-page":"1488","DOI":"10.1021\/ci000392t","volume":"41","author":"Tetko","year":"2001","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"10.1016\/j.bmc.2013.03.032_b0460","doi-asserted-by":"crossref","first-page":"3762","DOI":"10.1021\/jp980230o","volume":"102","author":"Ghose","year":"1998","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.bmc.2013.03.032_b0465","unstructured":"http:\/\/www.drugbank.ca\/drugs\/DB00489."},{"key":"10.1016\/j.bmc.2013.03.032_b0475","doi-asserted-by":"crossref","unstructured":"Kalgutkar, A. S.; Jones, R.; Sawant, A.; Sulfonamide as an Essential Functional Group in Drug Design, in: Gardner, I.R.; Obach, S.; Smith, D.A.; Miao, Z.; Alex, A.A.; Beaumont, K.; Kalgutkar, A.; Walker, D.; Dalvie, D.; Prakash, C.; Alf, V. Metabolism, Pharmacokinetics and Toxicity of Functional Groups: Impact of Chemical Building Blocks on ADMET; Royal Society of, Chemistry, Cambridge, UK, 2010. p 242.","DOI":"10.1039\/9781849731102-00210"}],"container-title":["Bioorganic & Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0968089613002460?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0968089613002460?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,19]],"date-time":"2025-10-19T00:09:57Z","timestamp":1760832597000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0968089613002460"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,6]]},"references-count":91,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2013,6]]}},"alternative-id":["S0968089613002460"],"URL":"https:\/\/doi.org\/10.1016\/j.bmc.2013.03.032","relation":{},"ISSN":["0968-0896"],"issn-type":[{"value":"0968-0896","type":"print"}],"subject":[],"published":{"date-parts":[[2013,6]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Inhibitors for the hepatitis C virus RNA polymerase explored by SAR with advanced machine learning methods","name":"articletitle","label":"Article Title"},{"value":"Bioorganic & Medicinal Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bmc.2013.03.032","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"Copyright \u00a9 2013 Elsevier Ltd. Published by Elsevier Ltd. All rights reserved.","name":"copyright","label":"Copyright"}]}}