{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,30]],"date-time":"2025-10-30T07:04:56Z","timestamp":1761807896120,"version":"build-2065373602"},"reference-count":60,"publisher":"Elsevier BV","issue":"1","license":[{"start":{"date-parts":[[2015,1,1]],"date-time":"2015-01-01T00:00:00Z","timestamp":1420070400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2015,1,1]],"date-time":"2015-01-01T00:00:00Z","timestamp":1420070400000},"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 &amp; Medicinal Chemistry Letters"],"published-print":{"date-parts":[[2015,1]]},"DOI":"10.1016\/j.bmcl.2014.10.089","type":"journal-article","created":{"date-parts":[[2014,11,1]],"date-time":"2014-11-01T08:33:01Z","timestamp":1414830781000},"page":"133-141","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":11,"title":["Computational design and chemometric QSAR modeling of Plasmodium falciparum carbonic anhydrase inhibitors"],"prefix":"10.1016","volume":"25","author":[{"given":"Shalini","family":"Singh","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"year":"1982","series-title":"Modern Parasitology","author":"Cox","key":"10.1016\/j.bmcl.2014.10.089_b0005"},{"key":"10.1016\/j.bmcl.2014.10.089_b0010","unstructured":"WHO; World malaria report 2013."},{"key":"10.1016\/j.bmcl.2014.10.089_b0015","first-page":"352","volume":"19","author":"Marsh","year":"1998","journal-title":"Lance"},{"key":"10.1016\/j.bmcl.2014.10.089_b0020","doi-asserted-by":"crossref","first-page":"214","DOI":"10.1038\/nature03342","volume":"434","author":"Snow","year":"2005","journal-title":"Nature"},{"key":"10.1016\/j.bmcl.2014.10.089_b0025","doi-asserted-by":"crossref","first-page":"1084","DOI":"10.1172\/JCI21682","volume":"113","author":"White","year":"2004","journal-title":"J. Clin. Invest."},{"key":"10.1016\/j.bmcl.2014.10.089_b0030","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1038\/nrd1824","volume":"4","author":"Pink","year":"2005","journal-title":"Nat. Rev. Drug Disc."},{"key":"10.1016\/j.bmcl.2014.10.089_b0035","doi-asserted-by":"crossref","first-page":"498","DOI":"10.1038\/nature01097","volume":"419","author":"Gardner","year":"2002","journal-title":"Nature"},{"key":"10.1016\/j.bmcl.2014.10.089_b0040","doi-asserted-by":"crossref","first-page":"3467","DOI":"10.1016\/j.bmcl.2010.05.009","volume":"20","author":"Supuran","year":"2010","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmcl.2014.10.089_b0045","doi-asserted-by":"crossref","first-page":"249","DOI":"10.1080\/14756360410001689577","volume":"19","author":"Reungprapavut","year":"2004","journal-title":"J. Enzyme Inhib. Med. Chem."},{"key":"10.1016\/j.bmcl.2014.10.089_b0050","doi-asserted-by":"crossref","first-page":"483","DOI":"10.1016\/j.bmc.2004.10.015","volume":"13","author":"Krungkrai","year":"2005","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.bmcl.2014.10.089_b0055","doi-asserted-by":"crossref","first-page":"909","DOI":"10.2174\/156802607780636744","volume":"7","author":"Krungkrai","year":"2007","journal-title":"Curr. Top. Med. Chem."},{"key":"10.1016\/j.bmcl.2014.10.089_b0060","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1038\/nrd2467","volume":"7","author":"Supuran","year":"2008","journal-title":"Nat. Rev. Drug Disc."},{"key":"10.1016\/j.bmcl.2014.10.089_b0065","doi-asserted-by":"crossref","first-page":"5466","DOI":"10.1016\/j.bmcl.2008.09.030","volume":"18","author":"Krungkrai","year":"2008","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmcl.2014.10.089_b0070","series-title":"Quantitative and Network Biology","first-page":"1","volume":"2","author":"Dhmer","year":"2012"},{"key":"10.1016\/j.bmcl.2014.10.089_b0075","doi-asserted-by":"crossref","first-page":"656","DOI":"10.2174\/157340612801216391","volume":"8","author":"Singh","year":"2012","journal-title":"Med. Chem."},{"key":"10.1016\/j.bmcl.2014.10.089_b0080","doi-asserted-by":"crossref","first-page":"4977","DOI":"10.1021\/jm4004285","volume":"57","author":"Cherkasov","year":"2014","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmcl.2014.10.089_b0085","unstructured":"BROOD (version 2.0.0), OpenEye Science Software, 3600 Cerrillos Road, Suite 1107, Santa Fe, 2010, USA."},{"key":"10.1016\/j.bmcl.2014.10.089_b0090","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(96)00423-1","volume":"23","author":"Lipinski","year":"1997","journal-title":"Adv. Drug Delivery Rev."},{"key":"10.1016\/j.bmcl.2014.10.089_b0095","doi-asserted-by":"crossref","first-page":"3714","DOI":"10.1021\/jm000942e","volume":"43","author":"Ertl","year":"2000","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmcl.2014.10.089_b0100","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1007\/s10822-006-9099-2","volume":"21","author":"Boda","year":"2007","journal-title":"J. Comput. Aided Mol. Des."},{"key":"10.1016\/j.bmcl.2014.10.089_b0105","doi-asserted-by":"crossref","first-page":"615","DOI":"10.1021\/ci960169p","volume":"37","author":"Wang","year":"1997","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"10.1016\/j.bmcl.2014.10.089_b0110","doi-asserted-by":"crossref","first-page":"3867","DOI":"10.1021\/jm000292e","volume":"43","author":"Egan","year":"2000","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmcl.2014.10.089_b0115","unstructured":"OMEGA (version 2.4.3), OpenEye Science Software, 3600 Cerrillos Road, Suite 107, Santa Fe, 2010, USA."},{"key":"10.1016\/j.bmcl.2014.10.089_b0120","doi-asserted-by":"crossref","first-page":"860","DOI":"10.1016\/j.jmgm.2009.01.003","volume":"27","author":"Tresadern","year":"2009","journal-title":"J. Mol. Graph. Mod."},{"key":"10.1016\/j.bmcl.2014.10.089_b0125","doi-asserted-by":"crossref","first-page":"720","DOI":"10.1002\/(SICI)1096-987X(199905)20:7<720::AID-JCC7>3.0.CO;2-X","volume":"20","author":"Halgre","year":"1999","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bmcl.2014.10.089_b0130","doi-asserted-by":"crossref","first-page":"1173","DOI":"10.1007\/s00894-007-0233-4","volume":"13","author":"Stewart","year":"2007","journal-title":"J. Mol. Model."},{"key":"10.1016\/j.bmcl.2014.10.089_b0135","unstructured":"Stewart, J. J. P. MOPAC v.12.239W, 2012, Stewart Computational Chemistry, Colorado Springs, CO, USA, 2008 http:\/\/OpenMOPAC.net."},{"key":"10.1016\/j.bmcl.2014.10.089_b0140","unstructured":"Talete, srl, DRAGON Plus for windows software for molecular descriptor calculations version 5.5, Milano, 2007, Italy, http:\/\/www.tate.mi.it."},{"key":"10.1016\/j.bmcl.2014.10.089_b0145","unstructured":"PRECLAV v. 1203 (documentation included) is available from Center of Organic Chemistry\u2014Bucharest, 2012."},{"key":"10.1016\/j.bmcl.2014.10.089_b0150","first-page":"639","volume":"56","author":"Tarko","year":"2005","journal-title":"Rev. Chim. (Bucuresti)."},{"key":"10.1016\/j.bmcl.2014.10.089_b0155","first-page":"476","volume":"60","author":"Tarko","year":"2009","journal-title":"Rev. Chim. (Bucuresti)"},{"key":"10.1016\/j.bmcl.2014.10.089_b0160","first-page":"191","volume":"58","author":"Tarko","year":"2007","journal-title":"Rev. Chim. (Bucuresti)"},{"key":"10.1016\/j.bmcl.2014.10.089_b0165","first-page":"371","volume":"62","author":"Tarko","year":"2011","journal-title":"Rev. Chim. (Bucuresti)"},{"key":"10.1016\/j.bmcl.2014.10.089_b0170","first-page":"992","volume":"60","author":"Done","year":"2009","journal-title":"Rev. Chim. (Bucuresti)."},{"journal-title":"J. Enzyme Inhib. Med. Chem.","year":"2014","author":"Singh","key":"10.1016\/j.bmcl.2014.10.089_b0175"},{"key":"10.1016\/j.bmcl.2014.10.089_b0180","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.bmcl.2014.10.089_b0185","doi-asserted-by":"crossref","first-page":"1556","DOI":"10.1007\/s00044-010-9416-0","volume":"20","author":"Singh","year":"2011","journal-title":"Med. Chem. Res."},{"key":"10.1016\/j.bmcl.2014.10.089_b0190","doi-asserted-by":"crossref","first-page":"1495","DOI":"10.1016\/j.bmc.2012.09.001","volume":"21","author":"Singh","year":"2013","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.bmcl.2014.10.089_b0195","doi-asserted-by":"crossref","first-page":"449","DOI":"10.3109\/14756366.2013.800059","volume":"29","author":"Singh","year":"2014","journal-title":"J. Enzyme Inhib. Med. Chem."},{"key":"10.1016\/j.bmcl.2014.10.089_b0200","first-page":"539","volume":"55","author":"Tarko","year":"2004","journal-title":"Rev. Chim. (Bucuresti)."},{"key":"10.1016\/j.bmcl.2014.10.089_b0205","doi-asserted-by":"crossref","first-page":"74","DOI":"10.3998\/ark.5550190.0005.e07","volume":"xiv","author":"Tarko","year":"2004","journal-title":"ARKIVOK"},{"key":"10.1016\/j.bmcl.2014.10.089_b0210","doi-asserted-by":"crossref","first-page":"1361","DOI":"10.1289\/ehp.5758","volume":"111","author":"Eriksson","year":"2003","journal-title":"Environ. Health Per."},{"key":"10.1016\/j.bmcl.2014.10.089_b0215","doi-asserted-by":"crossref","first-page":"396","DOI":"10.1021\/ci200520g","volume":"52","author":"Roy","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.bmcl.2014.10.089_b0220","doi-asserted-by":"crossref","first-page":"194","DOI":"10.1016\/j.chemolab.2011.03.011","volume":"107","author":"Ojha","year":"2011","journal-title":"Intell. Lab. Syst."},{"key":"10.1016\/j.bmcl.2014.10.089_b0225","doi-asserted-by":"crossref","first-page":"1071","DOI":"10.1002\/jcc.23231","volume":"34","author":"Roy","year":"2013","journal-title":"J. Comp. Chem."},{"key":"10.1016\/j.bmcl.2014.10.089_b0230","doi-asserted-by":"crossref","first-page":"1567","DOI":"10.1517\/17460441.2.12.1567","volume":"2","author":"Roy","year":"2007","journal-title":"Expert Opin. Drug Discovery"},{"year":"1981","series-title":"Applied Regression Analysis","author":"Draper","key":"10.1016\/j.bmcl.2014.10.089_b0235"},{"key":"10.1016\/j.bmcl.2014.10.089_b0240","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/S1093-3263(01)00123-1","volume":"20","author":"Golbraikh","year":"2002","journal-title":"J. Mol. Graph. Mod."},{"key":"10.1016\/j.bmcl.2014.10.089_b0245","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1002\/cem.1180020106","volume":"2","author":"Osten","year":"1998","journal-title":"J. Chemom."},{"key":"10.1016\/j.bmcl.2014.10.089_b0250","unstructured":"OECD Document ENV\/JM\/ MONO (2007) 2."},{"key":"10.1016\/j.bmcl.2014.10.089_b0255","first-page":"8","volume":"33","author":"Netzeva","year":"2005","journal-title":"ATLA"},{"key":"10.1016\/j.bmcl.2014.10.089_b0260","first-page":"69","volume":"22","author":"Tropsha","year":"2003","journal-title":"Comb. Sci."},{"key":"10.1016\/j.bmcl.2014.10.089_b0265","doi-asserted-by":"crossref","first-page":"1315","DOI":"10.1016\/j.jmgm.2008.01.002","volume":"26","author":"Weaver","year":"2008","journal-title":"J. Mol. Graph. Mod."},{"key":"10.1016\/j.bmcl.2014.10.089_b0270","unstructured":"NCSS (Statistical Software Delux package), 329 North 1000 East; Kaysville, UT, USA, 2004."},{"year":"1982","series-title":"Residuals and Influence in Regression","author":"Cook","key":"10.1016\/j.bmcl.2014.10.089_b0275"},{"key":"10.1016\/j.bmcl.2014.10.089_b0280","unstructured":"http:\/\/dtclab.webs.com\/software-tools."},{"year":"1998","series-title":"Chemometric Methods in Molecular Design","author":"Van de Waterbeemd","key":"10.1016\/j.bmcl.2014.10.089_b0285"},{"year":"2001","series-title":"Cluster Analysis","author":"Everitt","key":"10.1016\/j.bmcl.2014.10.089_b0290"},{"key":"10.1016\/j.bmcl.2014.10.089_b0295","doi-asserted-by":"crossref","first-page":"3862","DOI":"10.1021\/jm900818s","volume":"53","author":"Nicholls","year":"2010","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmcl.2014.10.089_b0300","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1007\/BF00124349","volume":"8","author":"Lauri","year":"1994","journal-title":"J. Comput. Aided Mol. Des."}],"container-title":["Bioorganic &amp; Medicinal Chemistry Letters"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0960894X14011603?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0960894X14011603?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,18]],"date-time":"2025-10-18T06:55:51Z","timestamp":1760770551000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0960894X14011603"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,1]]},"references-count":60,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2015,1]]}},"alternative-id":["S0960894X14011603"],"URL":"https:\/\/doi.org\/10.1016\/j.bmcl.2014.10.089","relation":{},"ISSN":["0960-894X"],"issn-type":[{"type":"print","value":"0960-894X"}],"subject":[],"published":{"date-parts":[[2015,1]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Computational design and chemometric QSAR modeling of Plasmodium falciparum carbonic anhydrase inhibitors","name":"articletitle","label":"Article Title"},{"value":"Bioorganic & Medicinal Chemistry Letters","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bmcl.2014.10.089","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"Copyright \u00a9 2014 Elsevier Ltd. All rights reserved.","name":"copyright","label":"Copyright"}]}}