Table 11 Atom node feature
From: Sequence-based drug-target affinity prediction using weighted graph neural networks
Feature name | Feature description | Dimension |
|---|---|---|
Atom type | One-hot encoding of the atom | 44 |
Atom neighbors | One-hot encoding of the degree of the atom in the molecule, which is the number of directly-bonded neighbors | 11 |
Number of hydrogens | One-hot encoding of the total number of H bound to the atom | 11 |
Number of implicit hydrogens | One-hot encoding of the number of implicit H bound to the atom | 11 |
All | All features of the atom | 78 |