Weighted scoring for discrete parameters.
| Parameter | Mode valuea | Value + 2 | Value + 1 | Value | Value − 1 | Value − 2 | <−2 or >+2 |
|---|---|---|---|---|---|---|---|
| Rotatable bond count | 5.0 | 0.5 | 1.0 | 1.5 | 1.0 | 0.5 | −1.0 |
| H-bond acceptorb | 2.0 | 0.5 | 1.0 | 1.5 | NA | NA | −1.0 |
| H-bond donorb | 0.0 | 0.5 | 1.0 | 1.5 | 1.0 | 0.5 | −1.0 |
| Formal chargeb | 0.0 | −3.0 | 2.0 | 3.0 | 2.0 | 1.0 | −1.0 |
a
The mode value for the 360 commercial herbicides is shown and scores are givens for values above and below this. NA – not applicable.
b
H-bond acceptor, H-bond donor and formal charge were counted at pH 7.4. Note that the score for formal charge is weighted heavily.