From: Leveraging domain information to restructure biological prediction
 | Attribute Class | Description |
---|---|---|
O-058 | Atom-centered fragments | =O |
nDB | Constitutional descriptors | number of double bonds |
F06[C-Cl] | 2D frequency fingerprints | frequency of C-Cl at topological distance 6 |
nCconj | Functional group counts | number of non-aromatic conjugated C(sp2) |
C-026 | Atom-centered fragments | R–CX..R |