Table 1. Description of the Node and Edge Attributes That Make up an ErG.
| node attributes | |
|---|---|
| attribute | description |
| [0] | hydrogen-bond donor |
| [1] | hydrogen-bond acceptor |
| [2] | positive charge |
| [3] | negative charge |
| [4] | hydrophobic group |
| [5] | aromatic ring system |
| [6] | carbon link node |
| [7] | noncarbon link node |
| [0, 1] | hydrogen-bond donor + hydrogen-bond acceptor |
| [0, 2] | hydrogen-bond donor + positive charge |
| [0, 3] | hydrogen-bond donor + negative charge |
| [1, 2] | hydrogen-bond acceptor + positive charge |
| [1, 3] | hydrogen-bond acceptor + negative charge |
| [2, 3] | positive charge + negative charge |
| [0, 1, 2] | hydrogen-bond donor + hydrogen-bond acceptor + positive charge |
| edge attributes | |
| attribute | description |
| - | single bond |
| = | double bond |
| ≡ | triple bond |