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Items: 1 to 20 of 483

1.

Prediction of pH-dependent aqueous solubility of druglike molecules.

Hansen NT, Kouskoumvekaki I, Jørgensen FS, Brunak S, Jónsdóttir SO.

J Chem Inf Model. 2006 Nov-Dec;46(6):2601-9.

PMID:
17125200
2.

Accuracy of calculated pH-dependent aqueous drug solubility.

Bergström CA, Luthman K, Artursson P.

Eur J Pharm Sci. 2004 Aug;22(5):387-98.

PMID:
15265508
3.

Development of reliable aqueous solubility models and their application in druglike analysis.

Wang J, Krudy G, Hou T, Zhang W, Holland G, Xu X.

J Chem Inf Model. 2007 Jul-Aug;47(4):1395-404. Epub 2007 Jun 15.

PMID:
17569522
4.

A computational model for the prediction of aqueous solubility that includes crystal packing, intrinsic solubility, and ionization effects.

Johnson SR, Chen XQ, Murphy D, Gudmundsson O.

Mol Pharm. 2007 Jul-Aug;4(4):513-23. Epub 2007 Jun 1.

PMID:
17539661
5.

Solubility prediction of drugs in water-cosolvent mixtures using Abraham solvation parameters.

Jouyban A, Soltanpour Sh, Soltani S, Chan HK, Acree WE.

J Pharm Pharm Sci. 2007;10(3):263-77.

6.

Aqueous solubility prediction of drugs based on molecular topology and neural network modeling.

Huuskonen J, Salo M, Taskinen J.

J Chem Inf Comput Sci. 1998 May-Jun;38(3):450-6.

PMID:
9611785
7.

Development and validation of in silico models for estimating drug preformulation risk in PEG400/water and Tween80/water systems.

Crivori P, Morelli A, Pezzetta D, Rocchetti M, Poggesi I.

Eur J Pharm Sci. 2007 Nov;32(3):169-81. Epub 2007 Aug 21.

PMID:
17714921
8.

Melting point prediction employing k-nearest neighbor algorithms and genetic parameter optimization.

Nigsch F, Bender A, van Buuren B, Tissen J, Nigsch E, Mitchell JB.

J Chem Inf Model. 2006 Nov-Dec;46(6):2412-22.

PMID:
17125183
9.
10.

Prediction of aqueous solubility from SCRATCH.

Jain P, Yalkowsky SH.

Int J Pharm. 2010 Jan 29;385(1-2):1-5. doi: 10.1016/j.ijpharm.2009.10.003. Epub 2009 Oct 9.

PMID:
19819319
11.

Predicting aqueous solubility: the role of crystallinity.

Chu KA, Yalkowsky SH.

Curr Drug Metab. 2009 Dec;10(10):1184-91.

PMID:
20166998
12.

Computational aqueous solubility prediction for drug-like compounds in congeneric series.

Du-Cuny L, Huwyler J, Wiese M, Kansy M.

Eur J Med Chem. 2008 Mar;43(3):501-12. Epub 2007 May 6.

PMID:
17574307
13.

In silico prediction of buffer solubility based on quantum-mechanical and HQSAR- and topology-based descriptors.

Göller AH, Hennemann M, Keldenich J, Clark T.

J Chem Inf Model. 2006 Mar-Apr;46(2):648-58.

PMID:
16562995
14.
15.

New QSPR study for the prediction of aqueous solubility of drug-like compounds.

Duchowicz PR, Talevi A, Bruno-Blanch LE, Castro EA.

Bioorg Med Chem. 2008 Sep 1;16(17):7944-55. doi: 10.1016/j.bmc.2008.07.067. Epub 2008 Jul 29.

PMID:
18701302
16.
17.

Prediction of the aqueous solubility of benzylamine salts using QSPR model.

Tantishaiyakul V.

J Pharm Biomed Anal. 2005 Feb 23;37(2):411-5.

PMID:
15708687
18.

Aqueous solubility prediction based on weighted atom type counts and solvent accessible surface areas.

Wang J, Hou T, Xu X.

J Chem Inf Model. 2009 Mar;49(3):571-81. doi: 10.1021/ci800406y.

PMID:
19226181
19.

Handling of computational in vitro/in vivo correlation problems by Microsoft Excel: V. Predictive absorbability models.

Langenbucher F.

Eur J Pharm Biopharm. 2007 Aug;67(1):293-9. Epub 2007 Feb 8.

PMID:
17363230
20.

Study of pH-dependent solubility of organic bases. Revisit of Henderson-Hasselbalch relationship.

Völgyi G, Baka E, Box KJ, Comer JE, Takács-Novák K.

Anal Chim Acta. 2010 Jul 12;673(1):40-6. doi: 10.1016/j.aca.2010.05.022. Epub 2010 Jun 16.

PMID:
20630176

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