Table 1.
Successive filtration of the ThermoML Archive. A set of successive filters were applied to all measurements in the ThermoML Archive that contained either mass density or static dielectric constant measurements. Each column reports the number of measurements remaining after successive application of the corresponding filtration step. The 246 final measurements correspond to 45 unique molecules measured at several temperature conditions.
| Filter step | Number of measurements remaining
|
|
|---|---|---|
| Mass density | Static dielectric | |
| 1. Single Component | 136212 | 1651 |
| 2. Druglike Elements | 125953 | 1651 |
| 3. Heavy Atoms | 71595 | 1569 |
| 4. Temperature | 38821 | 964 |
| 5. Pressure | 14103 | 461 |
| 6. Liquid state | 14033 | 461 |
| 7. Aggregate T, P | 3592 | 432 |
| 8. Density+Dielectric | 246 | 246 |