QSPR study of the retention/release property of odorant molecules in pectin gels using statistical methods
The ACD/ChemSketch, MarvinSketch, and ChemOffice programmes were used to calculate several molecular descriptors of 51 odorant molecules (15 alcohols, 11 aldehydes, 9 ketones and 16 esters).The best descriptors were selected to establish the Quantitative Structure-Property Relationship (QSPR) of the retention/release property of odorant molecules i