{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,6]],"date-time":"2026-03-06T07:04:54Z","timestamp":1772780694587,"version":"3.50.1"},"reference-count":30,"publisher":"Springer Science and Business Media LLC","issue":"1-3","license":[{"start":{"date-parts":[[2007,2,28]],"date-time":"2007-02-28T00:00:00Z","timestamp":1172620800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2007,3,7]]},"DOI":"10.1007\/s10822-007-9105-3","type":"journal-article","created":{"date-parts":[[2007,2,27]],"date-time":"2007-02-27T16:40:33Z","timestamp":1172594433000},"page":"113-119","source":"Crossref","is-referenced-by-count":101,"title":["Lead-like, drug-like or \u201cPub-like\u201d: how different are they?"],"prefix":"10.1007","volume":"21","author":[{"given":"Tudor I.","family":"Oprea","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tharun Kumar","family":"Allu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dan C.","family":"Fara","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ramona F.","family":"Rad","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lili","family":"Ostopovici","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Cristian G.","family":"Bologa","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2007,2,28]]},"reference":[{"key":"9105_CR1","doi-asserted-by":"crossref","first-page":"1138","DOI":"10.1126\/science.1105511","volume":"306","author":"CP Austin","year":"2004","unstructured":"Austin CP, Brady LS, Insel TR, Collins FS (2004) Science 306:1138","journal-title":"Science"},{"key":"9105_CR2","unstructured":"The PubChem database is available online at the National Center for Biotechnology Information, Retrieved from http:\/\/pubchem.ncbi.nlm.nih.gov\/ (09\/01\/07)"},{"key":"9105_CR3","unstructured":"Anon (2002) Chemistry & Industry, vol. 4. London, p 9"},{"key":"9105_CR4","unstructured":"According to the Tufts Center for the Study of Drug Development, the average cost to develop a new prescription drug is $802 million. Retrieved from, http:\/\/csdd.tufts.edu\/NewsEvents\/RecentNews.asp?newsid =6 (09\/01\/07)"},{"key":"9105_CR5","doi-asserted-by":"crossref","first-page":"491","DOI":"10.1016\/S1359-6446(98)01252-5","volume":"3","author":"J Drews","year":"1998","unstructured":"Drews J (1998) Drug Discov Today 3:491","journal-title":"Drug Discov Today"},{"key":"9105_CR6","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1177\/014107680009300702","volume":"93","author":"DF Horrobin","year":"2000","unstructured":"Horrobin DF (2000) J Royal Soc Med 93:341","journal-title":"J Royal Soc Med"},{"key":"9105_CR7","first-page":"308","volume":"4","author":"T Olsson","year":"2001","unstructured":"Olsson T, Oprea TI (2001) Curr Opin Drug Discov Dev 4:308","journal-title":"Curr Opin Drug Discov Dev"},{"key":"9105_CR8","doi-asserted-by":"crossref","first-page":"325","DOI":"10.1023\/A:1020877402759","volume":"16","author":"TI Oprea","year":"2002","unstructured":"Oprea TI (2002) J Comput Aided Mol Design 16:325","journal-title":"J Comput Aided Mol Design"},{"key":"9105_CR9","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(96)00423-1","volume":"23","author":"CA Lipinski","year":"1997","unstructured":"Lipinski CA, Lombardo F, Dominy BW, Feeney PJ (1997) Adv Drug Deliv 23:3","journal-title":"Adv Drug Deliv"},{"key":"9105_CR10","doi-asserted-by":"crossref","first-page":"1308","DOI":"10.1021\/ci010366a","volume":"41","author":"TI Oprea","year":"2001","unstructured":"Oprea TI, Davis AM, Teague SJ, Leeson PD (2001) J Chem Inf Comput Sci 41:1308","journal-title":"J Chem Inf Comput Sci"},{"key":"9105_CR11","doi-asserted-by":"crossref","unstructured":"Teague SJ, Davis AM, Leeson PD, Oprea TI (1999) Angew Chem Int Ed 38 (1999) 3743. German version: Angew Chem 111 (1999) 3962","DOI":"10.1002\/(SICI)1521-3757(19991216)111:24<3962::AID-ANGE3962>3.0.CO;2-8"},{"key":"9105_CR12","doi-asserted-by":"crossref","first-page":"856","DOI":"10.1021\/ci000403i","volume":"41","author":"MM Hann","year":"2001","unstructured":"Hann MM, Leach AR, Harper G (2001) J Chem Inf Comput Sci 41:856","journal-title":"J Chem Inf Comput Sci"},{"key":"9105_CR13","doi-asserted-by":"crossref","first-page":"251","DOI":"10.1023\/A:1008130001697","volume":"14","author":"TI Oprea","year":"2000","unstructured":"Oprea TI (2000) J Comput Aided Mol Des 14:251","journal-title":"J Comput Aided Mol Des"},{"key":"9105_CR14","doi-asserted-by":"crossref","first-page":"1647","DOI":"10.1016\/S0960-894X(02)00244-5","volume":"12","author":"JR Proudfoot","year":"2002","unstructured":"Proudfoot JR (2002) Bio Org Med Chem Lett 12:1647","journal-title":"Bio Org Med Chem Lett"},{"key":"9105_CR15","unstructured":"Available from MDL Information Systems, Retrieved from, http:\/\/mdl.com\/products\/knowledge\/drug_data_report\/index.jsp, http:\/\/www.prous.com\/index.html. (09\/01\/07)"},{"key":"9105_CR16","doi-asserted-by":"crossref","unstructured":"Olah M, Mracec M, Ostopovici L, Rad R, Bora A, Hadaruga N, Olah I, Banda M, Simon Z, Mracec M, Oprea, TI (ed) (2005) WOMBAT: World of Molecular Bioactivity, in Chemoinformatics in Drug Discovery., Wiley-VCH, New York, 2005, pp 223\u2013239","DOI":"10.1002\/3527603743.ch9"},{"key":"9105_CR17","doi-asserted-by":"crossref","first-page":"1237","DOI":"10.1021\/ci0501387","volume":"45","author":"TK Allu","year":"2005","unstructured":"Allu TK, Oprea TI (2005) J Chem Inf Model 45:1237","journal-title":"J Chem Inf Model"},{"key":"9105_CR18","unstructured":"SMARTS tutorial, Retrieved from, http:\/\/www.daylight.com\/dayhtml\/doc\/theory\/theory.smarts.html (09\/01\/07)"},{"key":"9105_CR19","doi-asserted-by":"crossref","first-page":"1281","DOI":"10.1021\/cr00020a001","volume":"93","author":"A Leo","year":"1993","unstructured":"Leo A (1993) Chem Rev 93:1281","journal-title":"Chem Rev"},{"key":"9105_CR20","unstructured":"ClogP is available from the Biobyte Corporation, http:\/\/biobyte.com\/index.html, (09\/01\/07)"},{"key":"9105_CR21","doi-asserted-by":"crossref","first-page":"453","DOI":"10.1007\/s10822-005-8694-y","volume":"19","author":"IV Tetko","year":"2005","unstructured":"Tetko IV, Gasteiger J, Todeschini R, Mauri A, Livingstone D, Ertl P, Palyulin VA, Radchenko EV, Zefirov NS, Makarenko AS, Tanchuk VY, Prokopenko VV (2005) J Comput Aided Mol Des 19:453","journal-title":"J Comput Aided Mol Des"},{"key":"9105_CR22","doi-asserted-by":"crossref","first-page":"1208","DOI":"10.1021\/ci010287z","volume":"41","author":"Y Ran","year":"2001","unstructured":"Ran Y, Jain N, Yalkowsky SH (2001) J Chem Inf Comput Sci 41:1208","journal-title":"J Chem Inf Comput Sci"},{"key":"9105_CR23","doi-asserted-by":"crossref","first-page":"741","DOI":"10.1023\/A:1012284411691","volume":"15","author":"DJ Livingstone","year":"2001","unstructured":"Livingstone DJ, Ford MG, Huuskonen JJ, Salt DW (2001) J Comput Aided Mol Des 15:741","journal-title":"J Comput Aided Mol Des"},{"key":"9105_CR24","doi-asserted-by":"crossref","first-page":"1407","DOI":"10.1021\/ci010368v","volume":"41","author":"IV Tetko","year":"2001","unstructured":"Tetko IV, Tanchuk VY, Villa AE (2001) J Chem Inf Comput Sci 41:1407","journal-title":"J Chem Inf Comput Sci"},{"key":"9105_CR25","unstructured":"The EPI suite is available from the US Environmental Protection Agency, http:\/\/www.epa.gov\/opptintr\/exposure\/pubs\/episuite.htm (09\/01\/07)"},{"key":"9105_CR26","unstructured":"ALOGPS is available from the Virtual Computational Chemistry Laboratory, http:\/\/vcclab.org\/lab\/alogps\/ (09\/01\/07)"},{"key":"9105_CR27","doi-asserted-by":"crossref","first-page":"3103","DOI":"10.1002\/jps.20217","volume":"93","author":"IV Tetko","year":"2004","unstructured":"Tetko IV, Bruneau P (2004) J Pharm Sci 93:3103","journal-title":"J Pharm Sci"},{"key":"9105_CR28","doi-asserted-by":"crossref","first-page":"5601","DOI":"10.1021\/jm049509l","volume":"47","author":"IV Tetko","year":"2004","unstructured":"Tetko IV, Poda GI (2004) J Med Chem 47:5601","journal-title":"J Med Chem"},{"key":"9105_CR29","doi-asserted-by":"crossref","first-page":"1250","DOI":"10.1021\/jm021053p","volume":"46","author":"MC Wenlock","year":"2003","unstructured":"Wenlock MC, Austin RP, Barton P, Davis AM, Leeson PD (2003) J Med Chem 46:1250","journal-title":"J Med Chem"},{"key":"9105_CR30","doi-asserted-by":"crossref","first-page":"631","DOI":"10.1021\/mp0600182","volume":"3","author":"T Takagi","year":"2007","unstructured":"Takagi T, Ramachandran C, Bermejo M, Yamashita S, Yu LX, Amidon GL (2007) Mol Pharmaceutics 3:631","journal-title":"Mol Pharmaceutics"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-007-9105-3.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10822-007-9105-3\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-007-9105-3","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,5,31]],"date-time":"2019-05-31T01:22:55Z","timestamp":1559265775000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10822-007-9105-3"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2007,2,28]]},"references-count":30,"journal-issue":{"issue":"1-3","published-print":{"date-parts":[[2007,3,7]]}},"alternative-id":["9105"],"URL":"https:\/\/doi.org\/10.1007\/s10822-007-9105-3","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2007,2,28]]}}}