Sentence examples for based on partial charges from inspiring English sources
A new molecular descriptor based on partial charges is proposed.
It encodes a 3D molecule into a rotation-translation invariant molecular descriptor based on partial charges and inter-atomic distances.
Also, since the method is purely based on partial charges, it should perform poorly if the recognition of a binding site by a query ligand is not mostly driven by electrostatics.
In this detection technique, after subtracting the background current from noise, the electrode response was calculated, based on partial and total charge exchanges at the electrode surface.
Twenty-five charge descriptors are computed based on Gasteiger Marseli partial charges in the charge group, which describe electronic aspects both of the whole molecule and of particular regions, such as atoms, bonds, and molecular fragments.
Based on partial returns, President Gloria Macapagal Arroyo's coalition will easily control the lower house.
The official said the letter was made public on Thursday after the government learned that CBS News and NBC News were preparing broadcasts based on partial descriptions of its contents.
Initial GDP estimates are based on partial information; missing data has to be based on the recent past.
Direct interpretations based on partial differential equations are not appropriate.
