Related Experiment Video
Updated: Jun 30, 2026

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
Published on: April 13, 2022
Prediction of some important physical properties of sulfur compounds using quantitative structure-properties
Farhad Gharagheizi1, Mehdi Mehrpooya
1Department of Chemical Engineering, Faculty of Engineering, University of Tehran, P.O. Box 11365-4563, Tehran, Iran. fghara@ut.ac.ir
Abstract:
In this work, physical properties of sulfur compounds (critical temperature (Tc), critical pressure (Pc), and Pitzer's acentric factor (omega)) are predicted using quantitative structure-property relationship technique. Sulfur compounds present in petroleum cuts are considered environmental hazards. Genetic algorithm based multivariate linear regression (GA-MLR) is used to select most statistically effective molecular descriptors on the properties. Using the selected molecular descriptors, feed forward neural networks (FFNNs) are applied to develop some molecular-based models to predict the properties. The presented models are quite accurate and can be used to predict the properties of sulfur compounds.
More Related Videos
08:37Measurement of H2S in Crude Oil and Crude Oil Headspace Using Multidimensional Gas Chromatography, Deans Switching and Sulfur-selective Detection
Published on: December 10, 2015
09:16Synthesis of Terpolymers at Mild Temperatures Using Dynamic Sulfur Bonds in Poly(S-Divinylbenzene)
Published on: May 20, 2019
Related Concept Videos
VSEPR Theory and the Basic Shapes
Predicting Molecular Geometry
Structure and Nomenclature of Thiols and Sulfides
Preparation and Reactions of Sulfides
Resonance
Mass Spectrum: Interpretation