Fig. 6

Molecular grid map. EFVs of the 26,795 substituent fragments are projected onto an MGM (of size 165 × 163 cells). EFVs are represented by cells that are color-coded according to different calculated fragment properties including A MW, B LogP, C TPSA, D number of heavy atoms, E number of aromatic rings, and F Fsp3. The small black region at the top of the MGM consists of grid points to which no fragments were assigned. “#” means “number of”