Electrotopological state (Estate) indices are numerical values computed for each atom in a molecule, and which encode information about both the topological environment of that atom and the electronic interactions due to all other atoms in the molecule
- EOS model ID:
eos3zur - Slug:
molfeat-estate
- Input:
Compound - Input Shape:
Single - Task:
Representation - Output:
Descriptor - Output Type:
Float - Output Shape:
List - Interpretation: 79 Electrotopological features
- Publication
- Source Code
- Ersilia contributor: GemmaTuron
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