Node Feature – indicator sites |
Atomic type |
72 |
Node Feature – change sites |
Hybridization type |
7 * 2 |
|
Atomic charge |
8 * 2 |
|
Number of atomic connections |
7 * 2 |
|
Atomic implicit valence |
7 * 2 |
|
Total atomic valence |
7 * 2 |
|
Atomic aromaticity |
1 * 2 |
|
Atomic chirality |
4 * 2 |
|
Is the atom on the ring |
6 * 2 |
|
Number of free radicals |
2 * 2 |
|
H-atom donor/acceptor |
2 * 2 |
|
Atomic acidity/ basicity |
2 * 2 |
Bond Feature – change sites |
Bond type |
4 * 2 |
|
Is the bond on the ring |
1 * 2 |
|
Conjugate bond |
1 * 2 |
|
Chirality of bond |
4 * 2 |