Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening
Fig 10
The 2D topological maps of the 16 channels of sample 1wkm.
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 horizontal axis is the dimension of spatial scale and the vertical axis is element combinations ordered by their importance.