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Items: 1 to 20 of 105

1.

The Block Relevance (BR) analysis supports the dominating effect of solutes hydrogen bond acidity on ΔlogP(oct-tol).

Ermondi G, Visconti A, Esposito R, Caron G.

Eur J Pharm Sci. 2014 Mar 12;53:50-4. doi: 10.1016/j.ejps.2013.12.007. Epub 2013 Dec 17.

PMID:
24355253
2.

Integrating intramolecular hydrogen bonding (IMHB) considerations in drug discovery using ΔlogP as a tool.

Shalaeva M, Caron G, Abramov YA, O'Connell TN, Plummer MS, Yalamanchi G, Farley KA, Goetz GH, Philippe L, Shapiro MJ.

J Med Chem. 2013 Jun 27;56(12):4870-9. doi: 10.1021/jm301850m. Epub 2013 Jun 12.

PMID:
23710574
3.

The contribution of the hydrogen bond acidity on the lipophilicity of drugs estimated from chromatographic measurements.

Pallicer JM, Pascual R, Port A, Rosés M, Ràfols C, Bosch E.

Eur J Pharm Sci. 2013 Feb 14;48(3):484-93. doi: 10.1016/j.ejps.2012.12.008. Epub 2012 Dec 20.

PMID:
23262061
4.

Hydrogen bonding descriptors in the prediction of human in vivo intestinal permeability.

Winiwarter S, Ax F, Lennernäs H, Hallberg A, Pettersson C, Karlén A.

J Mol Graph Model. 2003 Jan;21(4):273-87.

PMID:
12479927
5.

Molecular descriptors of N-arylhydroxamic acids: a tool in drug design.

Tiwari V, Pande R.

Chem Biol Drug Des. 2006 Oct;68(4):225-8.

PMID:
17105487
6.
8.

Toward prediction of alkane/water partition coefficients.

Toulmin A, Wood JM, Kenny PW.

J Med Chem. 2008 Jul 10;51(13):3720-30. doi: 10.1021/jm701549s. Epub 2008 Jun 18.

PMID:
18558667
9.

Measurement of diffusion coefficients of parabens and steroids in water and 1-octanol.

Seki T, Mochida J, Okamoto M, Hosoya O, Juni K, Morimoto K.

Chem Pharm Bull (Tokyo). 2003 Jun;51(6):734-6.

10.
12.

Large, chemically diverse dataset of logP measurements for benchmarking studies.

Martel S, Gillerat F, Carosati E, Maiarelli D, Tetko IV, Mannhold R, Carrupt PA.

Eur J Pharm Sci. 2013 Jan 23;48(1-2):21-9. doi: 10.1016/j.ejps.2012.10.019. Epub 2012 Nov 3.

PMID:
23131797
13.

Extension of the liquid chromatography/quantitative structure-property relationship method to assess the lipophilicity of neutral, acidic, basic and amphotheric drugs.

Pallicer JM, Calvet C, Port A, Rosés M, Ràfols C, Bosch E.

J Chromatogr A. 2012 Jun 1;1240:113-22. doi: 10.1016/j.chroma.2012.03.089. Epub 2012 Apr 5.

PMID:
22537604
14.

Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicity.

Hill AP, Young RJ.

Drug Discov Today. 2010 Aug;15(15-16):648-55. doi: 10.1016/j.drudis.2010.05.016. Epub 2010 Jun 4. Review.

PMID:
20570751
15.

Lipophilic and electrostatic forces encoded in IAM-HPLC indexes of basic drugs: their role in membrane partition and their relationships with BBB passage data.

Grumetto L, Carpentiero C, Barbato F.

Eur J Pharm Sci. 2012 Apr 11;45(5):685-92. doi: 10.1016/j.ejps.2012.01.008. Epub 2012 Jan 28.

PMID:
22306648
16.

A comparison of theoretical methods of calculation of partition coefficients for selected drugs.

Pyka A, Babuśka M, Zachariasz M.

Acta Pol Pharm. 2006 May-Jun;63(3):159-67.

17.

Modeling bioconcentration factor (BCF) using mechanistically interpretable descriptors computed from open source tool "PaDEL-Descriptor".

Pramanik S, Roy K.

Environ Sci Pollut Res Int. 2014 Feb;21(4):2955-65. doi: 10.1007/s11356-013-2247-z. Epub 2013 Oct 30.

PMID:
24170502
18.

Lipophilicity assessment of basic drugs (log P(o/w) determination) by a chromatographic method.

Pallicer JM, Sales J, Rosés M, Ràfols C, Bosch E.

J Chromatogr A. 2011 Sep 16;1218(37):6356-68. doi: 10.1016/j.chroma.2011.07.002. Epub 2011 Jul 8.

PMID:
21820118
19.

Model for the partition of neutral compounds between n-heptane and formamide.

Karunasekara T, Poole CF.

J Sep Sci. 2010 Apr;33(8):1167-73. doi: 10.1002/jssc.200900797.

PMID:
20187036
20.

ClogP(alk): a method for predicting alkane/water partition coefficient.

Kenny PW, Montanari CA, Prokopczyk IM.

J Comput Aided Mol Des. 2013 May;27(5):389-402. doi: 10.1007/s10822-013-9655-5. Epub 2013 Jun 5.

PMID:
23737238
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