Table 4. Number of (Nof) Compounds (cpds) for Each Property after NAA.
property | Nof cpds | Nof cycles | cpds with significant NAa |
---|---|---|---|
log D | 207,306 | 191,605 | 25,318 (12.21%) |
solubility | 219,987 | 184,116 | 28,072 (12.76%) |
permeability | 17,257 | 13,977 | 916 (5.31%) |
clearance | 172,947 | 121,941 | 21,750 (12.58%) |
Significance threshold determined by two times the experimental uncertainty.