Table 1.
Example of propositional rule generated for the classification of compounds in the scheme NB or No NB
| Rule 55: IF | –C–C–C >19 | |
| –O–C–C >1 | ||
| –O–C–C ⩽3 | ||
| THEN, the compound belongs to the NB class (Confidence 90.6%) Examples (14 cases) | ||
| No. |
Class |
Compound |
| 451 | NB | 1-Methoxyphenanthrene |
| 454 | NB | 9-Phenanthrol |
| 389 | NB | 9-Fluorenol |
| 535 | NB | 1-Phenanthrylsulfate |
| 493 | NB | 4-Phenanthrol |
| 525 | NB | 2-Phenanthrol |
| 513 | NB | 2,2′-Biphenyldimethanol |
| 539 | NB | 4-Phenanthrylsulfate |
| 538 | NB | 3-Phenanthrylsulfate |
| 537 | NB | 2-Phenanthrylsulfate |
| 529 | NB | 9-Phenanthrylsulfate |
| 494 | NB | 3-Phenanthrol |
| 450 | NB | 1-Phenanthrol |
| 390 | NB | 9-Fluorenone |
NB, nonbiodegradable path compound.