Glycolipids have important biological functions in nature. Many research recognizes the structure
property relationships (SPR) of more simple alkylated sugars, e.g. most of the natural materials have never been tested for their mesomorphous properties and the relation between the physical state of matter and the biological functions. The Quantitative Structure-Property Relationships (QSPR)
model of a
set of
compounds were developed by using 12 descriptor from quantum chemical parameters,
molecular mechanic and topological indices. The property of interest is clearing point(CP) of 132 α-glycolipids compounds. The advancement of computering methodology and chemistry is joined to find the molecular descriptors which takes into account the steric, electronic and thermodynamic effect. The set of α-glycolipids compounds in this study were from 11 groups contains Maltose and Cellulose. The Multivariat Linear Regression (MLR) model developed reveal statistically significant stepwise
MLR model for CP with the correlation equation R2 = 80.2% and R2CV = 75.83% with removal 2 sampel outlier. The result shows that CP of α-glycolipids compounds could be developed by using MLR technique with 12 desciptor.
More abstracts about the QSPR Models for Physicochemical Properties of Glycolipids Compounds