Abstract

Quantitative structure toxicity relationship (QSTR) study on a series of aliphatic alcohol derivativeswith the help of topological descriptors

Author(s): Dinesh Kumar, R.N.Singh, A.K.R.Khan, P.P.Singh

In this present work, we have taken a series of aliphatic alcohol derivatives and developed QSTR models with the help of topological descriptors.The values of topological descriptors are directly obtained by Dragon software. The first set contains amino alcohol derivatives and the correlation coefficient of this set is above 0.80. The second set contains acetylenic and diol derivatives. The correlation coefficient of this set is above 0.83. The third and fourth set contains saturated and unsaturated alcohols respectively. The correlation coefficient of these sets are above 0.80.