🧪 ReTiNA Table of Additive Desciptors
The ReTiNA dataset is accompanied with Morgan fingerprints for each additive in the dataset, capturing features for model training. Descriptors were computed using RDKit.
Topological Descriptors
| Descriptor | Summary | Software Used |
|---|---|---|
| Morgan_Fingerprint | Circular fingerprints encoding molecular substructures up to a given radius, used for similarity and machine learning | RDKit |