Skip to main content

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