Fig. 3: Modelling VOC profiles collected from skin swabs of PD participants from the UK cohort over three consecutive years.

a Optimised sPLS-DA displays three clusters distinctly separating the time points in a trajectory from left to right, validated by 3-fold cross validation with 100 repeats. b Example significant features that exhibited increasing or decreasing trend as time progresses; selection made using VIP scores (>1) and cross validation feature stability scores (>0.8) to compare mean expression in PD over time. For further details on the selection of these features see supplementary information.