Table 1.
Distribution parameters of Gaussian approximations for the 1-bit, intersection, and union distributions
| Distribution | μ | σ |
|---|---|---|
| 1-Bits (ChemDB) | 205.8 | 97.9 |
| 1-Bits (Binomial) | 215.0 | 13.0 |
| 1-Bits (Multiple Bernoulli) | 217.7 | 12.3 |
| Intersection (ChemDB) | 58.2 | 31.3 |
| Intersection (Binomial) | 45.1 | 6.6 |
| Intersection (Multiple Bernoulli) | 66.4 | 6.9 |
| Intersection (Hypergeometric/Gaussian) | 31.2 | 31.8 |
| Union (ChemDB) | 364.7 | 109.0 |
| Union (Binomial) | 385.7 | 15.8 |
| Union (Multiple Bernoulli) | 369.1 | 14.3 |
| Union (Hypergeometric/Gaussian) | 380.5 | 107.2 |
The ChemDB parameters were obtained from Gaussian fits of the sampled distributions. The binomial and multiple Bernoulli parameters were calculated directly from the models, and the hypergeometric/Gaussian parameters were obtained from Gaussian fits to the distribution calculated directly from the equations in Section 4.3.