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Comparison of the density of solutions of manifold optimization (MO) with all-atom optimization (FA). The results are shown for each probe.
| Probe | Normalized distance | Correlation |
|---|---|---|
| acetamide | 0.10 | 0.994 |
| acetone | 0.07 | 0.997 |
| acetonitrile | 0.06 | 0.997 |
| acetaldehyde | 0.09 | 0.995 |
| methylamine | 0.08 | 0.996 |
| benzene | 0.10 | 0.994 |
| cyclohexane | 0.05 | 0.998 |
| ndimethylformamide | 0.09 | 0.995 |
| dimethyl ether | 0.06 | 0.997 |
| ethane | 0.03 | 0.999 |
| urea | 0.21 | 0.978 |
