Table 3. Analysis of Impact of the Cumulative Optimization Techniques on the Algorithm’s Performance.
| optimization type | sum of time spent for testinga,b | average time for elucidationb | average number of candidates per testc |
|---|---|---|---|
| none (baseline) | 341.04 | 8.53 | 45.2 |
| weight of compound candidate | 21.66 | 0.54 | 3.3 |
| Erdős–Gallai connectivity check | 12.88 | 0.32 | 2.1 |
| tree realization check | 11.45 | 0.29 | 1.9 |
| 13C NMR–additional data | 11.38 | 0.28 | 1.6 |
a
Reported test results for 40 tested compounds.
b
Reported in seconds.
c
Test refers to an average number of candidates on a single compound in a set of 40 tested compounds.