QSAR study on solubility of alkanes in water and their partition coefficients in different solvent systems using PI index

Bioorganic and Medicinal Chemistry Letters

Volumn 13, Issue 3, 2003, Pages 419-422

  Khadikar, Padmakar V ^a   Mandloi, Dheeraj ^b   Bajaj, Amrit V ^b   Joshi, Sheela ^b  

^a Research Division   (India)

^b DEVI AHILYA UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANE; BUTANE; CYCLOHEXANE; DECANE; DODECANE; ETHANE; HEPTANE; HEXADECANE; HEXANE; METHANE; OCTANE; OCTANOL; PENTANE; PROPANE; SOLVENT; WATER;

AQUEOUS SOLUTION; ARTICLE; ASSAY; INTERMETHOD COMPARISON; LIQUID; PARTITION COEFFICIENT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; SOLID; SOLUBILITY;

ALGORITHMS; ALKANES; CHEMISTRY, PHYSICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; SOLUBILITY; SOLVENTS; WATER;

EID: 0037330990     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0960-894X(02)00953-8     Document Type: Article

References (17)

1. Abraham M.H., Chadha H.C., Whiting G.S., Mitchell R.C. J. Pharm. Sci. 83:1994;1085.
2. Platts J.A., Butina D., Abraham M.H., Hersey A. J. Chem. Inf. Comput. Sci. 39:1999;835. and references therein.
3. Rekker R.F., Mannhold R. Calculation of Drug Lipopholicity. 1992;VCH, Weinheim.
4. Abraham M.H., Du C.M., Platts J.A. J. Org. Chem. 65:2000;7114.
5. Khadikar, P. V.; Agrawal, V. K.; Karmarkar, S. Bioorg. Med. Chem. 2002, 10, 3499, and references therein.
6. Khadikar P.V., Mathur K.C., Shalini J., Phadnis A., Shrivastava A., Mandloi M. Bioorg. Med. Chem. 10:2002;1761.
7. Khadikar P.V., Phadnis A., Shrivastava A. Bioorg. Med. Chem. 10:2002;1181.
8. Khadikar, P.V.; Karmarkar, S.; Singh, S.; Shrivastava, A. Bioorg. Med. Chem. 2002, 10, 3163.
9. Khadikar P.V., Kale P.P., Deshpande N.V., Karmarkar S., Agrawal V.K. J. Math. Chem. 29:2001;134.
10. Khadikar P.V., Karmarkar S., Agrawal V.K. J. Chem. Inf. Comput. Sci. 41:2001;934.
11. Khadikar, P.V.; Bajaj, A.V.; Mandloi, D. Indian J. Chem. 2002, 41A, 2065.
12. Khadikar, P.V.; Agrawal, V.K.; Karmarkar, S. Bioorg. Med. Chem. In press, and references therein.
13. Wiener H. J. Am. Chem. Soc. 69:1947;17.
14. Khadikar P.V., Singh S., Shrivastava A. Bioorg. Med. Chem. Letters. 12:2002;1125.
15. Gutman I. Graph Theory Notes New York. 27:1994;9.
16. Khadikar P.V., Deshpande N.V., Kale P.P., Dobrynin A., Gutman I., Domotor G. J. Chem. Inf. Comput. Sci. 35:1995;547.
17. Chaterjee S., Hadi A., Price B. Regression Analysis by Examples. 3rd ed. 2000;John Wiley, New York.