Regression Study of Odorant Chemical Space, Molecular Structural Diversity, and Natural Language Description

Odor is analyzed
on the human olfactometry systems in various steps.
The mapping from chemical structures to olfactory perceptions of smell
is an extremely challenging task. Scientists have been unable to find
a measure to distinguish the perceptual similarity between odorants.
In this study, we report regression analysis and visualization based
on the odorant chemical space. We discuss the relation between the
odor descriptors and their structural diversity for odorants groups
associated with each odor descriptor. We studied the influence of
structural diversity on the odor descriptor predictability. The results
suggest that the diversity of molecular structures, which is associated
with the same odor descriptor, is related to the resolutional confusion
with the odor descriptor.