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Items: 1 to 20 of 155

1.

Computation of octanol-water partition coefficients by guiding an additive model with knowledge.

Cheng T, Zhao Y, Li X, Lin F, Xu Y, Zhang X, Li Y, Wang R, Lai L.

J Chem Inf Model. 2007 Nov-Dec;47(6):2140-8.

PMID:
17985865
2.
3.

A neural network based prediction of octanol-water partition coefficients using atomic5 fragmental descriptors.

Molnár L, Keseru GM, Papp A, Gulyás Z, Darvas F.

Bioorg Med Chem Lett. 2004 Feb 23;14(4):851-3.

PMID:
15012980
4.

Relationship between polysorbate 80 solubilization descriptors and octanol-water partition coefficients of drugs.

Alvarez-Núñez FA, Yalkowsky SH.

Int J Pharm. 2000 May 10;200(2):217-22.

PMID:
10867251
8.

Separation methods for estimating octanol-water partition coefficients.

Poole SK, Poole CF.

J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Nov 25;797(1-2):3-19. Review.

PMID:
14630140
9.

Parameterization of an empirical model for the prediction of n-octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients.

Zerara M, Brickmann J, Kretschmer R, Exner TE.

J Comput Aided Mol Des. 2009 Feb;23(2):105-11. doi: 10.1007/s10822-008-9243-2.

PMID:
18818882
10.

[Computerized logP prediction using fragment methods].

Takácsné NK.

Acta Pharm Hung. 1998 Jan;68(1):39-48. Hungarian.

PMID:
9528148
11.

Modeling the octanol-water partition coefficients by an optimized molecular connectivity index.

Soskić M, Plavsić D.

J Chem Inf Model. 2005 Jul-Aug;45(4):930-8.

PMID:
16045287
12.

Reliability of logP predictions based on calculated molecular descriptors: a critical review.

Eros D, Kövesdi I, Orfi L, Takács-Novák K, Acsády G, Kéri G.

Curr Med Chem. 2002 Oct;9(20):1819-29. Review.

PMID:
12369880
13.
14.

The signature molecular descriptor. 1. Using extended valence sequences in QSAR and QSPR studies.

Faulon JL, Visco DP Jr, Pophale RS.

J Chem Inf Comput Sci. 2003 May-Jun;43(3):707-20.

PMID:
12767129
15.

Partial order ranking-based QSAr's: estimation of solubilities and octanol-water partitioning.

Carlsen L, Sørensen PB, Thomsen M.

Chemosphere. 2001 Apr;43(3):295-302.

PMID:
11302574
16.

Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices.

Tetko IV, Tanchuk VY, Villa AE.

J Chem Inf Comput Sci. 2001 Sep-Oct;41(5):1407-21.

PMID:
11604042
17.
18.

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Toropov AA, Toropova AP, Raska I Jr.

Eur J Med Chem. 2008 Apr;43(4):714-40.

PMID:
17629592
19.

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.

20.

Sulfur organic compounds in bottom sediments of the eastern Gulf of Finland.

Khoroshko LO, Petrova VN, Takhistov VV, Viktorovskii IV, Lahtiperä M, Paasivirta J.

Environ Sci Pollut Res Int. 2007 Sep;14(6):366-76.

PMID:
17993219

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