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Items: 1 to 20 of 114

1.
3.

Semi-empirical estimation of organic compound fugacity ratios at environmentally relevant system temperatures.

van Noort PC.

Chemosphere. 2009 Jun;76(1):16-21. doi: 10.1016/j.chemosphere.2009.02.048. Epub 2009 Mar 21.

PMID:
19304312
4.

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
5.

Scores of extended connectivity fingerprint as descriptors in QSPR study of melting point and aqueous solubility.

Zhou D, Alelyunas Y, Liu R.

J Chem Inf Model. 2008 May;48(5):981-7. doi: 10.1021/ci800024c. Epub 2008 May 9.

PMID:
18465850
6.

QSPR prediction of aqueous solubility of drug-like organic compounds.

Ghasemi J, Saaidpour S.

Chem Pharm Bull (Tokyo). 2007 Apr;55(4):669-74.

7.
8.

Prediction of solubility curves and melting properties of organic and pharmaceutical compounds.

Nordström FL, Rasmuson AC.

Eur J Pharm Sci. 2009 Feb 15;36(2-3):330-44. doi: 10.1016/j.ejps.2008.10.009. Epub 2008 Oct 30.

PMID:
19022383
9.

Prediction of octanol--air partition coefficients of semivolatile organic compounds based on molecular connectivity index.

Zhao H, Zhang Q, Chen J, Xue X, Liang X.

Chemosphere. 2005 Jun;59(10):1421-6.

PMID:
15876385
10.
11.

Quantitative structure-property relationship of aromatic sulfur-containing carboxylates.

Liu XH, Yang ZF, Wang LS.

J Environ Sci (China). 2003 Nov;15(6):721-7.

PMID:
14758887
12.

Estimation of drug solubility in water, PEG 400 and their binary mixtures using the molecular structures of solutes.

Ghafourian T, Bozorgi AH.

Eur J Pharm Sci. 2010 Aug 11;40(5):430-40. doi: 10.1016/j.ejps.2010.04.016. Epub 2010 May 7.

PMID:
20452421
13.

Why are some properties more difficult to predict than others? A study of QSPR models of solubility, melting point, and Log P.

Hughes LD, Palmer DS, Nigsch F, Mitchell JB.

J Chem Inf Model. 2008 Jan;48(1):220-32. doi: 10.1021/ci700307p. Epub 2008 Jan 11.

PMID:
18186622
14.

Estimating the physicochemical properties of polyhalogenated aromatic and aliphatic compounds using UPPER: part 2. Aqueous solubility, octanol solubility and octanol-water partition coefficient.

Admire B, Lian B, Yalkowsky SH.

Chemosphere. 2015 Jan;119:1441-1446. doi: 10.1016/j.chemosphere.2014.10.031. Epub 2014 Oct 29.

PMID:
25454206
15.
16.

Fugacity ratio estimations for high-melting rigid aromatic compounds.

Van Noort PC.

Chemosphere. 2004 Jul;56(1):7-12.

PMID:
15109874
17.

Determination of descriptors for polycyclic aromatic hydrocarbons and related compounds by chromatographic methods and liquid-liquid partition in totally organic biphasic systems.

Ariyasena TC, Poole CF.

J Chromatogr A. 2014 Sep 26;1361:240-54. doi: 10.1016/j.chroma.2014.08.008. Epub 2014 Aug 11.

PMID:
25169725
19.

The solubility of liquid and solid compounds in dry octan-1-ol.

Abraham MH, Acree WE Jr.

Chemosphere. 2014 May;103:26-34. doi: 10.1016/j.chemosphere.2013.10.095. Epub 2013 Nov 28.

PMID:
24290301
20.

Modeling aqueous solubility.

Butina D, Gola JM.

J Chem Inf Comput Sci. 2003 May-Jun;43(3):837-41.

PMID:
12767141

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