Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening
Fig 7
Heat map plot of the 16 channels.
The mean value (left image) and the standard deviation (right image) of each digit over the PDBBind v2016 refined set are shown. The top 8 maps are for protein-ligand complex and the other 8 maps are for the difference between protein-ligand complex and protein only. For each map, the vertical axis is the element combinations ordered according to their importance and the horizontal axis is the dimension of spatial scales.