Scheme 1. Visualization of carbon distance and angle features used to train random forest models. The feature dCn–Ctr (green) is the distance between a carbon atom (n) on galactose and the centroid of the nearest aromatic ring. The feature θProj–Cn–Ctr (red) is the angle between the distance vector and the vector ProjCn (blue) formed by the projection of Cn onto the plane of the aromatic ring system.
