Fig. 5

Clustering results for all atom subtypes in the five sweeteners. The first bar shows the RMSD clustering with VMD1.9.3. The second bar is calculated with CVAE and HDBSCAN when all atoms are considered. The following bars represent the clustering results for each atom subtype of the corresponding sweetener. Each plot depicts the cluster size at time t against simulation time t. For CVAE and HDSCAN results, each cluster size t is the average of the sizes given by the 6 trained models. Bigger clusters are colored with dark red while small clusters are colored with dark blue