| Package | Description |
|---|---|
| mic.rules | |
| mutant.rules | |
| toxTree.tree.cramer |
Class
CramerRules is the implementation of Cramer rules [Cramer et al,78]. |
| Modifier and Type | Class and Description |
|---|---|
class |
SA18
TODO Reimplement PAH recognition in a more robust way, possibly by
generalized Hueckel rule (Randic)
|
class |
SA19
If the set of fused rings contains > 2 aromatic rings and > 1 heteroaromatic
rings, the rule returns true.
|
| Modifier and Type | Class and Description |
|---|---|
class |
SA18_gen
TODO Reimplement PAH recognition in a more robust way, possibly by generalized Hueckel rule (Randic)
|
class |
SA19_gen
If the set of fused rings contains > 2 aromatic rings and > 1 heteroaromatic rings, the rule returns true.
|
| Modifier and Type | Class and Description |
|---|---|
class |
RuleIsAromatic
Rule 23 of the Cramer scheme (see
CramerRules)
Note this is descendant of RuleAromatic and therefore
follows the Hueckel rule, rather than verifying for the presence of
benzene, furan, thiophene, pyridine or pyrrole ring |
Copyright © 2004–2018 Ideaconsult Ltd. All rights reserved.