QSPR Evidences for Topological Indices to Mimic Lipophilicity of Thia and Aza-Crown Ethers
Corresponding Author(s) : V.W. Bhagwat
inf_vwb@rediffmail.com
Asian Journal of Chemistry,
Vol. 21 No. 7 (2009): Vol 21 Issue 7
Abstract
QSPR study on a large set of thia and aza crown ethers has been carried out for the modelling of lipophilicity, using topological indces. The stepwise multilinear regression analysis of the data has indicated that an excellent model is obtained when these topological indices are combined with some structural indcators. The obtained models are critically discussed and examined by various types of cross validation parameters.
Keywords
Topological indices
Lipophilicity
Crown ether
QSPR
Bhagwat, V., Khadikar, P., Tiwari, A., Solanki, A., Choubey, A., Kamal, N., … Lowlekar, V. (2010). QSPR Evidences for Topological Indices to Mimic Lipophilicity of Thia and Aza-Crown Ethers. Asian Journal of Chemistry, 21(7), 5212–5220. Retrieved from https://asianpubs.org/index.php/ajchem/article/view/18295
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