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Items: 1 to 20 of 195

1.

QSAR-based permeability model for drug-like compounds.

Gozalbes R, Jacewicz M, Annand R, Tsaioun K, Pineda-Lucena A.

Bioorg Med Chem. 2011 Apr 15;19(8):2615-24. doi: 10.1016/j.bmc.2011.03.011. Epub 2011 Mar 12.

PMID:
21458999
2.

QSAR-based solubility model for drug-like compounds.

Gozalbes R, Pineda-Lucena A.

Bioorg Med Chem. 2010 Oct 1;18(19):7078-84. doi: 10.1016/j.bmc.2010.08.003. Epub 2010 Aug 6.

PMID:
20810286
3.

Insights into the permeability of drugs and drug-like molecules from MI-QSAR and HQSAR studies.

Shinde RN, Srikanth K, Sobhia ME.

J Mol Model. 2012 Mar;18(3):947-62. doi: 10.1007/s00894-011-1121-5. Epub 2011 Jun 3.

PMID:
21638045
4.

QSAR application for the prediction of compound permeability with in silico descriptors in practical use.

Nakao K, Fujikawa M, Shimizu R, Akamatsu M.

J Comput Aided Mol Des. 2009 May;23(5):309-19. doi: 10.1007/s10822-009-9261-8. Epub 2009 Feb 25.

PMID:
19241121
5.

A new topological descriptors based model for predicting intestinal epithelial transport of drugs in Caco-2 cell culture.

Marrero Ponce Y, Cabrera Pérez MA, Romero Zaldivar V, González Díaz H, Torrens F.

J Pharm Pharm Sci. 2004 Jun 29;7(2):186-99.

6.

Predicting permeability coefficient in ADMET evaluation by using different membranes-interaction QSAR.

Liu J, Li Y, Pan D, Hopfinger AJ.

Int J Pharm. 2005 Nov 4;304(1-2):115-23. Epub 2005 Sep 22.

PMID:
16182478
7.

QSAR study on permeability of hydrophobic compounds with artificial membranes.

Fujikawa M, Nakao K, Shimizu R, Akamatsu M.

Bioorg Med Chem. 2007 Jun 1;15(11):3756-67. Epub 2007 Mar 16.

PMID:
17418579
8.

Provisional classification and in silico study of biopharmaceutical system based on caco-2 cell permeability and dose number.

Pham-The H, Garrigues T, Bermejo M, González-Álvarez I, Monteagudo MC, Cabrera-Pérez MÁ.

Mol Pharm. 2013 Jun 3;10(6):2445-61. doi: 10.1021/mp4000585. Epub 2013 May 15.

PMID:
23675957
9.

ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties.

Hou TJ, Zhang W, Xia K, Qiao XB, Xu XJ.

J Chem Inf Comput Sci. 2004 Sep-Oct;44(5):1585-600.

PMID:
15446816
10.

Predicting Caco-2 cell permeation coefficients of organic molecules using membrane-interaction QSAR analysis.

Kulkarni A, Han Y, Hopfinger AJ.

J Chem Inf Comput Sci. 2002 Mar-Apr;42(2):331-42.

PMID:
11911703
11.

The importance of molecular structures, endpoints' values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor binders.

Li J, Gramatica P.

Mol Divers. 2010 Nov;14(4):687-96. doi: 10.1007/s11030-009-9212-2. Epub 2009 Nov 17.

PMID:
19921452
12.

In silico prediction of human oral absorption based on QSAR analyses of PAMPA permeability.

Akamatsu M, Fujikawa M, Nakao K, Shimizu R.

Chem Biodivers. 2009 Nov;6(11):1845-66. doi: 10.1002/cbdv.200900112.

PMID:
19937826
13.

Prediction and mechanistic interpretation of human oral drug absorption using MI-QSAR analysis.

Iyer M, Tseng YJ, Senese CL, Liu J, Hopfinger AJ.

Mol Pharm. 2007 Mar-Apr;4(2):218-31.

PMID:
17397237
14.

Orthogonal chromatographic descriptors for modelling Caco-2 drug permeability.

Deconinck E, Verstraete T, Van Gyseghem E, Vander Heyden Y, Coomans D.

J Chromatogr Sci. 2012 Mar;50(3):175-83. doi: 10.1093/chromsci/bmr044.

PMID:
22337793
15.

Profile-QSAR: a novel meta-QSAR method that combines activities across the kinase family to accurately predict affinity, selectivity, and cellular activity.

Martin E, Mukherjee P, Sullivan D, Jansen J.

J Chem Inf Model. 2011 Aug 22;51(8):1942-56. doi: 10.1021/ci1005004. Epub 2011 Jul 19.

PMID:
21667971
16.

A quantitative structure-activity relationship (QSAR) study of dermal absorption using theoretical molecular descriptors.

Basak SC, Mills D, Mumtaz MM.

SAR QSAR Environ Res. 2007 Jan-Mar;18(1-2):45-55.

PMID:
17365958
17.

Exploring the role of different drug transport routes in permeability screening.

Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.

J Med Chem. 2005 Jan 27;48(2):604-13.

PMID:
15658873
18.

Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds.

Marino AM, Yarde M, Patel H, Chong S, Balimane PV.

Int J Pharm. 2005 Jun 13;297(1-2):235-41. Epub 2005 Apr 11.

PMID:
15907606
19.

Development of an in silico model for human skin permeation based on a Franz cell skin permeability assay.

Lee PH, Conradi R, Shanmugasundaram V.

Bioorg Med Chem Lett. 2010 Jan 1;20(1):69-73. doi: 10.1016/j.bmcl.2009.11.039. Epub 2009 Nov 14.

PMID:
19963379
20.

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