Table 1 The length of the shortest path and distance in 3D space between selected oxygen atoms of the molecule shown in Fig. 2
From: Extended study on atomic featurization in graph neural networks for molecular property prediction
Shortest path | Distance [Å] | ||
|---|---|---|---|
O:3 | O:11 | 4 | 2.68 |
O:3 | O:12 | 4 | 4.17 |
O:2 | O:11 | 6 | 4.52 |
O:2 | O:12 | 6 | 6.24 |