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. 2023 Oct 19;14(43):12166–12181. doi: 10.1039/d3sc04091g

Jensen–Shannon divergence between the bond angle distributions of different methods and that of the test set.

Bond angle GraphBP Pocket2Mol 3D-MCTS
CCC 0.42 0.06 0.07
CCO 0.49 0.16 0.16
CNC 0.37 0.13 0.07
NCC 0.36 0.15 0.05
CC Created by potrace 1.16, written by Peter Selinger 2001-2019 O 0.36 0.34 0.18
COC 0.51 0.48 0.32