Table 1 Learning rate sign of Eq. 4 for bond creations (i.e. attaching a fragment to a connector) and destructions (i.e. deleting a fragment from a connector) based on the score change associated with the operation
From: LEADD: Lamarckian evolutionary algorithm for de novo drug design
Operation | ΔS | Learning rate sign (g) |
|---|---|---|
Bond creation | > 0 | + 1 |
≤ 0 | − 1 | |
Bond destruction | > 0 | − 1 |
≤ 0 | + 1 |