{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,24]],"date-time":"2026-02-24T04:19:37Z","timestamp":1771906777539,"version":"3.50.1"},"reference-count":68,"publisher":"American Chemical Society (ACS)","issue":"6","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Mol. Pharmaceutics"],"published-print":{"date-parts":[[2013,6,3]]},"DOI":"10.1021\/mp4000585","type":"journal-article","created":{"date-parts":[[2013,4,26]],"date-time":"2013-04-26T21:57:48Z","timestamp":1367013468000},"page":"2445-2461","source":"Crossref","is-referenced-by-count":87,"title":["Provisional Classification and <i>in Silico<\/i> Study of Biopharmaceutical System Based on Caco-2 Cell Permeability and Dose Number"],"prefix":"10.1021","volume":"10","author":[{"given":"Hai","family":"Pham-The","sequence":"first","affiliation":[{"name":"Molecular Simulation & Drug Design Group, Centre of Chemical Bioactive, Central University of Las Villas, Santa Clara 54830, Villa Clara, Cuba"}]},{"given":"Teresa","family":"Garrigues","sequence":"additional","affiliation":[{"name":"Department of Pharmacy and Pharmaceutical\rTechnology, University of Valencia, Burjassot\r46100, Valencia, Spain"}]},{"given":"Marival","family":"Bermejo","sequence":"additional","affiliation":[{"name":"Department\rof Engineering, Area\rof Pharmacy and Pharmaceutical Technology, Miguel Hern\u00e1ndez University, 03550 Sant Joan d\u2019Alacant, Alicante,\rSpain"}]},{"given":"Isabel","family":"Gonz\u00e1lez-\u00c1lvarez","sequence":"additional","affiliation":[{"name":"Department\rof Engineering, Area\rof Pharmacy and Pharmaceutical Technology, Miguel Hern\u00e1ndez University, 03550 Sant Joan d\u2019Alacant, Alicante,\rSpain"}]},{"given":"Maikel Cruz","family":"Monteagudo","sequence":"additional","affiliation":[{"name":"CIQ, Department of\rChemistry\rand Biochemistry, Faculty of Sciences, University of Porto, 4169-007 Porto, Portugal"},{"name":"REQUIMTE, Department of Chemistry\rand Biochemistry, Faculty of Sciences, University of Porto, 4169-007 Porto, Portugal"},{"name":"Applied Chemistry Research Center (CEQA),\rFaculty of Chemistry and Pharmacy, Central University of Las Villas, Santa Clara, 54830, Cuba"}]},{"given":"Miguel \u00c1ngel","family":"Cabrera-P\u00e9rez","sequence":"additional","affiliation":[{"name":"Molecular Simulation & Drug Design Group, Centre of Chemical Bioactive, Central University of Las Villas, Santa Clara 54830, Villa Clara, Cuba"},{"name":"Department of Pharmacy and Pharmaceutical\rTechnology, University of Valencia, Burjassot\r46100, Valencia, Spain"},{"name":"Department\rof Engineering, Area\rof Pharmacy and Pharmaceutical Technology, Miguel Hern\u00e1ndez University, 03550 Sant Joan d\u2019Alacant, Alicante,\rSpain"}]}],"member":"316","published-online":{"date-parts":[[2013,5,15]]},"reference":[{"issue":"3","key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"413","DOI":"10.1023\/A:1016212804288","volume":"12","author":"Amidon G. L.","year":"1995","journal-title":"Pharm. Res."},{"issue":"7","key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"1774","DOI":"10.1007\/s11095-011-0438-1","volume":"28","author":"Chen M. L.","year":"2011","journal-title":"Pharm. Res."},{"key":"ref3\/cit3","volume-title":"FDA Guidance for Industry: Waiver of In Vivo Bioavailability and Bioequivalence Studies for Immediate-Release Solid Oral Dosage Forms Based on a Biopharmaceutics Classification System","year":"2012"},{"key":"ref4\/cit4","volume-title":"Note for Guidance on the Investigation of Bioavailability and Bioequivalence","year":"2012"},{"key":"ref5\/cit5","unstructured":"Annex 8: Proposal to waive in vivo bioequivalence requirements for WHO Model List of Essential Medicines immediate-release, solid oral dosage forms; Technical Report Series No. 937; 40th; WHO Expert Committee on Specification for Pharmaceutical Preparations, WHO Technical Report Series, No. 937, 2006; pp391\u2013461;http:\/\/www.who.int\/medicines\/publications\/essentialmedicines\/en\/index.html(accessed March 3, 2012) ."},{"issue":"5","key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"1539","DOI":"10.1021\/mp1001747","volume":"7","author":"Cook J. A.","year":"2010","journal-title":"Mol. Pharmaceutics"},{"key":"ref7\/cit7","unstructured":"CDER\/FDAImmediate Release Solid Oral Dosage Forms Scale-Up and Postapproval Changes: Chemistry, Manufacturing, and Controls, In Vitro Dissolution Testing, and In Vivo Bioequivalence Documentation; Center for Drug Evaluation and Research (CDER), November, 1995;http:\/\/www.fda.gov\/downloads\/Drugs\/GuidanceComplianceRegulatoryInformation\/Guidances\/ucm070636.pdf(accessed July 26, 2012) ."},{"issue":"1","key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"208","DOI":"10.1208\/s12248-008-9020-0","volume":"10","author":"Ku M. S.","year":"2008","journal-title":"AAPS J."},{"issue":"1","key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"85","DOI":"10.1021\/mp034006h","volume":"1","author":"Kasim N. A.","year":"2004","journal-title":"Mol. Pharmaceutics"},{"issue":"4","key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"740","DOI":"10.1208\/s12248-009-9144-x","volume":"11","author":"Dahan A.","year":"2009","journal-title":"AAPS J."},{"issue":"6","key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"631","DOI":"10.1021\/mp0600182","volume":"3","author":"Takagi T.","year":"2006","journal-title":"Mol. Pharmaceutics"},{"issue":"2","key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1016\/j.ejpb.2004.03.001","volume":"58","author":"Lindenberg M.","year":"2004","journal-title":"Eur. J. Pharm. Biopharm."},{"issue":"5","key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"1199","DOI":"10.1021\/mp2004912","volume":"9","author":"Varma M. V.","year":"2012","journal-title":"Mol. Pharmaceutics"},{"issue":"4","key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"664","DOI":"10.1208\/s12248-012-9384-z","volume":"14","author":"Nair A. K.","year":"2012","journal-title":"AAPS J."},{"issue":"2","key":"ref15\/cit15","first-page":"83","volume":"19","author":"Shawahna R.","year":"2011","journal-title":"DARU"},{"key":"ref16\/cit16","unstructured":"The International Pharmacopoeia,4th ed.World Health Organization, WHO Press:Geneva, 2006; Vols.1 & 2, p1520."},{"key":"ref17\/cit17","volume-title":"The Merck Index","year":"2006","edition":"14"},{"issue":"1","key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1007\/s11095-004-9004-4","volume":"22","author":"Wu C. Y.","year":"2005","journal-title":"Pharm. Res."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1002\/9783527623860.ch7","volume-title":"Drug Bioavailability. Estimation of Solubility, Permeability, Absorption and Bioavailability","volume":"40","author":"Ungell A. L.","year":"2008","edition":"2"},{"issue":"1","key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"102","DOI":"10.1124\/dmd.107.015321","volume":"36","author":"Sun H.","year":"2008","journal-title":"Drug Metab. Dispos."},{"issue":"4","key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"519","DOI":"10.1208\/s12248-011-9290-9","volume":"13","author":"Benet L. Z.","year":"2011","journal-title":"AAPS J."},{"key":"ref22\/cit22","unstructured":"WHO Model List of Essential Medicines (17th list), March 2011;http:\/\/www.who.int\/medicines\/publications\/essentialmedicines\/en\/index.html(accessed July 26, 2012)."},{"key":"ref23\/cit23","unstructured":"Electronic Orange Book, Approved Drug Products with Therapeutic Equivalence Evaluations,32nd ed.; Office of Generic Drugs Center for Drug Evaluation and Research, Food and Drug Administration, updated August 2012; http:\/\/www.fda.gov\/downloads\/Drugs\/InformationOnDrugs\/UCM086233.pdf(accessed July 26, 2012)."},{"issue":"6","key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"686","DOI":"10.1021\/mp060042f","volume":"3","author":"Kim J. S.","year":"2006","journal-title":"Mol. Pharmaceutics"},{"issue":"4","key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"376","DOI":"10.1002\/minf.201000118","volume":"30","author":"Pham-The H.","year":"2011","journal-title":"Mol. Inf."},{"issue":"5","key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"367","DOI":"10.1177\/026119291003800510","volume":"38","author":"Prieto P.","year":"2010","journal-title":"Altern. Lab. Anim."},{"issue":"5","key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"433","DOI":"10.1016\/S0928-0987(03)00146-5","volume":"19","author":"Behrens I.","year":"2003","journal-title":"Eur. J. Pharm. Sci."},{"issue":"12","key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"2249","DOI":"10.1007\/s11095-007-9435-9","volume":"24","author":"Khandelwal A.","year":"2007","journal-title":"Pharm. Res."},{"issue":"3","key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"570","DOI":"10.1021\/mp2004302","volume":"9","author":"Broccatelli F.","year":"2012","journal-title":"Mol. Pharmaceutics"},{"key":"ref30\/cit30","volume-title":"VolSurf+","year":"2010"},{"issue":"2","key":"ref31\/cit31","first-page":"124","volume":"4","author":"Marrero-Ponce Y.","year":"2005","journal-title":"Internet Electron. J. Mol. Des."},{"issue":"3","key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"880","DOI":"10.1016\/0006-291X(91)91647-U","volume":"175","author":"Artursson P.","year":"1991","journal-title":"Biochem. Biophys. Res. Commun."},{"issue":"6","key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"763","DOI":"10.1023\/A:1012102522787","volume":"14","author":"Yee S.","year":"1997","journal-title":"Pharm. Res."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"665","DOI":"10.1007\/978-0-387-74901-3_28","volume-title":"Drug Absorption Studies: In Situ, In Vitro and In Silico Models","author":"Volpe D. A.","year":"2008"},{"key":"ref35\/cit35","unstructured":"DRAGON for Windows (Software for Molecular Descriptor Calculator). 6.0; Talete srl, Milano Chemometrics and QSAR Research Group:http:\/\/www.talete.mi.it\/products\/dragon_description.htm."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","DOI":"10.1002\/9783527628766","volume-title":"Molecular Descriptors for Chemoinformatics","author":"Todeschini R.","year":"2009"},{"issue":"1","key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1016\/S0166-1280(99)00360-7","volume":"503","author":"Cruciani G.","year":"2000","journal-title":"J. Mol. Struct.: THEOCHEM"},{"key":"ref38\/cit38","volume-title":"STATISTICA (data analysis software system)","year":"2007"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1111\/j.1469-1809.1936.tb02137.x","volume":"7","author":"Fisher R. A.","year":"1936","journal-title":"Ann. Eugenic"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","unstructured":"Hosmer, D. W.; Lemeshow, S.Applied Logistic Regression,2nd ed.John Wiley & Sons, Inc.:Hoboken, NJ, 2000; p392.","DOI":"10.1002\/0471722146"},{"key":"ref41\/cit41","volume-title":"SPSS (Statistical Software for the Social Sciences) 17.0","year":"2008"},{"issue":"1","key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1148\/radiology.143.1.7063747","volume":"143","author":"Hanley J. A.","year":"1982","journal-title":"Radiology"},{"issue":"2","key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1177\/026119290503300209","volume":"33","author":"Netzeva T. I.","year":"2005","journal-title":"Altern. Lab. Anim."},{"issue":"6","key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"717","DOI":"10.1016\/j.addr.2007.08.043","volume":"60","author":"Custodio J. M.","year":"2008","journal-title":"Adv. Drug Delivery Rev."},{"key":"ref45\/cit45","first-page":"69","volume":"7","author":"Dressman J.","year":"2001","journal-title":"Pharm. Technol."},{"issue":"22","key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"1497","DOI":"10.1016\/S1359-6446(05)03584-1","volume":"10","author":"Tetko I. V.","year":"2005","journal-title":"Drug Discovery Today"},{"issue":"4","key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"347","DOI":"10.1007\/BF01061407","volume":"2","author":"Regardh C. G.","year":"1974","journal-title":"J. Pharmacokinet. Biopharm."},{"issue":"6","key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"1375","DOI":"10.1002\/jps.20064","volume":"93","author":"Polli J. E.","year":"2004","journal-title":"J. Pharm. Sci."},{"issue":"3","key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"119","DOI":"10.1080\/107175401316906874","volume":"8","author":"Tomei S.","year":"2001","journal-title":"Drug Delivery"},{"issue":"5","key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"709","DOI":"10.1002\/jps.2600640435","volume":"64","author":"Bates T. R.","year":"1975","journal-title":"J. Pharm. Sci."},{"issue":"6","key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"1144","DOI":"10.1007\/s11095-006-0162-4","volume":"23","author":"Takano R.","year":"2006","journal-title":"Pharm. Res."},{"issue":"9","key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"755","DOI":"10.7326\/0003-4819-114-9-755","volume":"114","author":"Blum R. A.","year":"1991","journal-title":"Ann. Intern. Med."},{"issue":"7","key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"1140","DOI":"10.1080\/00498250802050880","volume":"38","author":"Elsby R.","year":"2008","journal-title":"Xenobiotica"},{"issue":"2","key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"293","DOI":"10.1023\/B:PHAM.0000016242.48642.71","volume":"21","author":"Yazdanian M.","year":"2004","journal-title":"Pharm. Res."},{"issue":"5","key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"1827","DOI":"10.1021\/mp100175a","volume":"7","author":"Dahan A.","year":"2010","journal-title":"Mol. Pharmaceutics"},{"issue":"10","key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"1514","DOI":"10.1023\/A:1015040217741","volume":"16","author":"Kelder J.","year":"1999","journal-title":"Pharm. Res."},{"issue":"12","key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"1927","DOI":"10.1021\/jm001101a","volume":"44","author":"Stenberg P.","year":"2001","journal-title":"J. Med. Chem."},{"issue":"20","key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"14991","DOI":"10.1016\/S0021-9258(18)82429-2","volume":"268","author":"Hunter J.","year":"1993","journal-title":"J. Biol. Chem."},{"issue":"1","key":"ref59\/cit59","first-page":"265","volume":"292","author":"Hirohashi T.","year":"2000","journal-title":"J. Pharmacol. Exp. Ther."},{"issue":"2","key":"ref60\/cit60","first-page":"620","volume":"299","author":"Polli J. W.","year":"2001","journal-title":"J. Pharmacol. Exp. Ther."},{"issue":"2","key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1124\/dmd.110.034629","volume":"39","author":"Lin X.","year":"2011","journal-title":"Drug Metab. Dispos."},{"issue":"5","key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1124\/mol.104.010439","volume":"67","author":"Merino G.","year":"2005","journal-title":"Mol. Pharmacol."},{"issue":"1","key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(00)00129-0","volume":"46","author":"Lipinski C. A.","year":"2001","journal-title":"Adv. Drug Delivery Rev."},{"issue":"3","key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"398","DOI":"10.1021\/cc049866h","volume":"7","author":"Chen G.","year":"2005","journal-title":"J. Comb. Chem."},{"issue":"1","key":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1021\/cc9800071","volume":"1","author":"Ghose A. K.","year":"1999","journal-title":"J. Comb. Chem."},{"key":"ref66\/cit66","first-page":"271","volume-title":"Rational Approaches to Drug Design","author":"Zamora I.","year":"2001"},{"issue":"6","key":"ref67\/cit67","doi-asserted-by":"crossref","first-page":"1847","DOI":"10.1021\/mp300140h","volume":"9","author":"Dahan A.","year":"2012","journal-title":"Mol. Pharmaceutics"},{"issue":"9","key":"ref68\/cit68","doi-asserted-by":"crossref","first-page":"777","DOI":"10.2165\/00003088-200746090-00005","volume":"46","author":"Igel S.","year":"2007","journal-title":"Clin. Pharmacokinet."}],"container-title":["Molecular Pharmaceutics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/mp4000585","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,15]],"date-time":"2023-04-15T01:46:17Z","timestamp":1681523177000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/mp4000585"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,5,15]]},"references-count":68,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2013,6,3]]}},"alternative-id":["10.1021\/mp4000585"],"URL":"https:\/\/doi.org\/10.1021\/mp4000585","relation":{},"ISSN":["1543-8384","1543-8392"],"issn-type":[{"value":"1543-8384","type":"print"},{"value":"1543-8392","type":"electronic"}],"subject":[],"published":{"date-parts":[[2013,5,15]]}}}