Detection Threshold#
Divergence for each enantiomeric pair is derived from that pair’s detection threshold[1] ratio.
Enantiomeric Pair |
Past Approach |
New Approach |
|---|---|---|
(R) carvone/(S) carvone |
1 |
65 |
(R) linalool/(S) linalool |
1 |
1.35 |
The old model couldn’t detect a difference because divergence was determined by comparing molecular features which are identical within a pair. However divergence in the new model is captured by detection threshold ratio. Now we will see if structural features can predict divergence.