We calculated 4885 physicochemical descriptors for 2662 molecules using Dragon 6.0 (Talete) software. We removed descriptors where >90% of the values were identical, where the most common value was >19× more common than the second most common value or where values were missing for any odor. The remaining 696 descriptors were then used in PCA on the 2662 compounds to plot the 113 molecules of interest in the context of the full set.

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