QSPR Studies of Non Cyclic Polyether
Keywords:
QSPR / Topological Indices / lipophilicity / PodandsAbstract
This paper deals with a Quantitative Structure Property relationship (QSPR) study on a large set of Podands (non cyclic polyether) using a combination of topological indices. The regression analysis has been carried out assuming linear relationship between ClogP and topological indices. The analysis of the data has indicated that an excellent model is obtained when these topological indices are combined with some classical descriptor. The obtained model is further supported through cross validation.
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