Package toxTree.tree.cramer

Class CramerRules is the implementation of Cramer rules [Cramer et al,78].

See: Description

Class Summary

Class	Description
CramerClass1	A DefaultCategory descendant, implementation of Cramer class 1 (see CramerRules)
CramerClass2	A DefaultCategory descendant, implementation of Cramer class 2 (see CramerRules)
CramerClass3	A DefaultCategory descendant, implementation of Cramer class 3 (see CramerRules)
CramerRules	An UserDefinedTree descendant, implementing the decision tree described in "Cramer G.
CramerTreeResult	A descendant ot TreeResult, to be used by CramerRules.
Rule32	Rule 32 of the Cramer scheme (see CramerRules)
Rule3FuncGroups	Rule 21 of the Cramer scheme (see CramerRules)
Rule3MemberedHeterocycle	3-membered heterocycle.
RuleAcyclicAcetalEsterOfQ30	Rule 31 of the Cramer scheme (see CramerRules)
RuleAliphaticWithSomeFuncGroups	Rule 20 of the Cramer scheme (see CramerRules)
RuleCommonComponentOfFood	Rule 22 of the Cramer scheme (see CramerRules)
RuleCyclopropaneEtc	Rule 25 of the Cramer scheme (see CramerRules)
RuleHasOnlySaltSulphonateSulphate	Rule 4 of the Cramer scheme (see CramerRules)
RuleHasOtherThanC_H_O_N_S2	Rule 3 of the Cramer scheme (see CramerRules)
RuleHeteroaromatic	Rule 12 of the Cramer scheme (see CramerRules)
RuleHeterocyclicComplexSubstituents	Rule 11 of the Cramer scheme (see CramerRules)
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
RuleIsCommonTerpene	Rule 16 of the Cramer scheme (see CramerRules) Verifies if the substance is a terpene
RuleIsHeterocyclic	Rule 7 of the Cramer scheme (see CramerRules)
RuleIsOpenChain	Rule 19 of the Cramer scheme (see CramerRules)
RuleKetoneAlcoholEtc	Rule 18 of the Cramer scheme (see CramerRules)
RuleLactoneOrCyclicDiester	Rule 8 of the Cramer scheme (see CramerRules)
RuleLactonesFusedOrUnsaturated	Rule 9 of the Cramer scheme (see CramerRules)
RuleManyAromaticRings14	Rule 14 of the Cramer scheme (see CramerRules)
RuleManyAromaticRings28	Rule 28 of the Cramer scheme (see CramerRules)
RuleMonocarbocyclic	Rule 24 of the Cramer scheme (see CramerRules)
RuleMonocycloalkanoneEtc	Rule 26 of the Cramer scheme (see CramerRules)
RuleNormalBodyConstituent	Rule 1 of the Cramer scheme (see CramerRules)
RuleOnlyFuncGroupsQ30	Rule 32 of the Cramer scheme (see CramerRules)
RuleReadilyHydrolysed29	Rule 29 of the Cramer scheme (see CramerRules)
RuleReadilyHydrolysedMononuclear	Rule 15 of the Cramer scheme (see CramerRules)
RuleReadilyHydrolysedToCommonterpene	Rule 17 of the Cramer scheme (see CramerRules)
RuleRingComplexSubstituents30	Rule 30 of the Cramer scheme (see CramerRules)
RuleRingsWithSubstituents	Rule 27 of the Cramer scheme (see CramerRules)
RuleRingWithSubstituents	Rule 13 of the Cramer scheme (see CramerRules)
RuleSimplyBranchedAliphaticHydrocarbon	Implementation of Cramer rule No.5 Simply branched aliphatic or a common carbohydrate A descendant of RuleCarbohydrate
RuleSomeBenzeneDerivatives	Rule 6 of the Cramer scheme (see CramerRules)
RuleSufficientSulphonateGroups	Rule 33 of the Cramer scheme (see CramerRules)
RuleToxicFunctionalGroups	Rule 2 of the Cramer scheme (see CramerRules)

Package toxTree.tree.cramer Description

Class CramerRules is the implementation of Cramer rules [Cramer et al,78]. Cramer G. M., R. A. Ford, R. L. Hall, Estimation of Toxic Hazard - A Decision Tree Approach, J. Cosmet. Toxicol., Vol.16, pp. 255-276, Pergamon Press, 1978