. 2023 Jan 12;14(6):1557–1568. doi: 10.1039/d2sc04429c

The mean and median MMD of the interatomic distances distribution of different methods compared with the test set. Single: individual distances p(d_ij|G), Pair: pairwise distances p(d_ij,d_uv|G), All: all distances p(d|G).

Method	Single		Pair		All
Method	Mean	Median	Mean	Median	Mean	Median
RDKit	3.4513	3.1602	3.8452	3.6827	4.0866	3.7519
DMCG	4.5088	5.0245	5.2494	5.8464	5.8464	6.3546
CVGAE	4.1789	4.1762	4.9184	5.1856	5.9747	5.9928
GraphDG	0.7645	0.2346	0.8920	0.3287	1.1949	0.5485
CGCF	0.4490	0.1786	0.5509	0.2734	0.8703	0.4447
ConfGF	0.3684	0.2358	0.4582	0.3206	0.6091	0.4240
SDEGen	0.3943	0.1037	0.4518	0.1762	0.6249	0.2742

The mean and median MMD of the interatomic distances distribution of different methods compared with the test set. Single: individual distances p(dij|G), Pair: pairwise distances p(dij,duv|G), All: all distances p(d|G).