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Packages that use RuleAromatic | |
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mic.rules | |
mutant.rules | |
toxTree.tree.cramer | Class CramerRules is the implementation of Cramer rules [Cramer et al,78]. |
Uses of RuleAromatic in mic.rules |
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Subclasses of RuleAromatic in mic.rules | |
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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. |
Uses of RuleAromatic in mutant.rules |
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Subclasses of RuleAromatic in mutant.rules | |
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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. |
Uses of RuleAromatic in toxTree.tree.cramer |
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Subclasses of RuleAromatic in toxTree.tree.cramer | |
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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 |
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