Fig. 4
From: Random-forest model for drug–target interaction prediction via Kullback–Leibler divergence
Comparison between 2 and 3D based KLD values between target (Q-Q) density and ligand distribution (Q-L). X-axis: KLD value, Y-axis: relative frequency. The Q-Q density in the orange colored histogram is FGFR1 (Q10), that of the blue colored is mTOR (Q14) A KLD measurement from 3D-similarity (E3FP fingerprints of conformers from FGFR1 and mTOR ligands), B KLD measurement from 2D-similarity (Morgan fingerprints of ligands from FGFR1 and mTOR)