Fig. 8
From: Predicting odor from vibrational spectra: a data-driven approach
(a) Silhouette score for different dimensionality reduction techniques and clustering techniques for GS_VS and VS_IMG. (b) Histogram illustrating the distribution of chemical functional groups across clusters. (A) Alcohol(Al_coo) (B) Alcohol(Al_oh) (C) Alcholo(Al_oh_notert) (D) Aromatic Amine(Ar_n) (E) Aromatic Hydroxyl(Ar_oh) (F) Carboxylic Acid(Coo) (G) Carboxylic Acid(Coo2) (H) Carbonyl O (C_o) (I) Carbonyl O excluding Cooh (C_o_nocoo) (J) Tertiary amines (Nh0) (K) Thiol(Sh) (L) Aldehyde (M) Allylic_oxid (N) Aryl_methyl (O) Benzene (P) Bicyclic (Q) Ester (R) Ether (S) Furan (T) Ketone (U) Ketone_topliss (V) Methoxy (W) Para_hydroxylation (X) Phenol (Y) Phenol_noorthohbond (Z) Unbrch_alkane.
