Abstrakt

Molecular descriptors based comparative QSTR study of saturated alcohols derivatives

Satyenrdra Singh, A.K.R.Khan, R.K.Singh

In this present work, we have taken saturated alcohol derivatives and comparativeQSTRmodel have beenmadewith the help of fewimportant groups of descriptors like topological, constitutional descriptors, geometrical and getaway descriptors have been tested and to final QSTR model has been made with the help of the most significant descriptors. The values of these descriptors have been calculated by Dragon software. Finally, we have beenmade direct relationship betweenmost significant descriptors (Se) and observed toxicity. The cross validation coefficient and correlation coefficient of bestmodel are 0.453139 and 0.852744 respectively.