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Results: 1 to 20 of 475

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
[PubMed - indexed for MEDLINE]
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
[PubMed - indexed for MEDLINE]
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
[PubMed - indexed for MEDLINE]
4.

Modeling drug solubility in water-cosolvent mixtures using an artificial neural network.

Jouyban A, Majidi MR, Jalilzadeh H, Asadpour-Zeynali K.

Farmaco. 2004 Jun;59(6):505-12.

PMID:
15178314
[PubMed - indexed for MEDLINE]
5.

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
[PubMed - indexed for MEDLINE]
6.

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.

PMID:
17727790
[PubMed - indexed for MEDLINE]
Free Article
7.

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
[PubMed - indexed for MEDLINE]
8.

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
[PubMed - indexed for MEDLINE]
9.

Random forest models to predict aqueous solubility.

Palmer DS, O'Boyle NM, Glen RC, Mitchell JB.

J Chem Inf Model. 2007 Jan-Feb;47(1):150-8.

PMID:
17238260
[PubMed - indexed for MEDLINE]
10.

Neural network modeling for estimation of the aqueous solubility of structurally related drugs.

Huuskonen J, Salo M, Taskinen J.

J Pharm Sci. 1997 Apr;86(4):450-4.

PMID:
9109047
[PubMed - indexed for MEDLINE]
11.

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
[PubMed - indexed for MEDLINE]
12.

Application of ALOGPS 2.1 to predict log D distribution coefficient for Pfizer proprietary compounds.

Tetko IV, Poda GI.

J Med Chem. 2004 Nov 4;47(23):5601-4.

PMID:
15509156
[PubMed - indexed for MEDLINE]
13.

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
[PubMed - indexed for MEDLINE]
14.

Predicting aqueous solubility: the role of crystallinity.

Chu KA, Yalkowsky SH.

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

PMID:
20166998
[PubMed - indexed for MEDLINE]
15.

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
[PubMed - indexed for MEDLINE]
16.

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
[PubMed - indexed for MEDLINE]
17.

Review of the cosolvency models for predicting solubility of drugs in water-cosolvent mixtures.

Jouyban A.

J Pharm Pharm Sci. 2008;11(1):32-58. Review.

PMID:
18445363
[PubMed - indexed for MEDLINE]
Free Article
18.

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
[PubMed - indexed for MEDLINE]
19.

Mechanistic analysis of pH-dependent solubility and trans-membrane permeability of amphoteric compounds: application to sildenafil.

Wang Y, Chow MS, Zuo Z.

Int J Pharm. 2008 Mar 20;352(1-2):217-24. Epub 2007 Nov 4.

PMID:
18068319
[PubMed - indexed for MEDLINE]
20.

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
[PubMed - indexed for MEDLINE]

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