Blog Archives

Computational Model For Chromatographic Relative Retention Time of Polychlorinated Biphenyls Using Sub-structural Molecular Fragments

Saaidpour Saadi

Quantitative structure-retention relationship (QSRR) analysis is a useful technique capable of relating chromato- graphic retention time to the chemical structure of a solute. Using the sub-structural molecular fragments (SMF) derived directly from the molecular structures, the gas chromatographi ...

Prediction the Normal Boiling Points of Primary, Secondary and Tertiary Liquid Amines from their Molecular Structure Descriptors

Saaidpour Saadi, Bahmani Asrin, Rostami Amin

In this article, at first, a quantitative structure–property relationship (QSPR) model for estimation of the normal boiling point of liquid amines is developed. QSPR study based multiple linear regression was applied to predict the boiling points of primary, secondary and tertiary amines. The g ...