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 |