Package toxtree.tree.cramer3.rules

Interface Summary

Interface	Description
IRuleSMARTS

Class Summary

Class	Description
RuleLactone
RuleQ1	Looks like similar to RuleAcyclicAcetalEsterOfQ30, although not specified as such by the rule authors.
RuleQ10	Very similar to Cramer Rules Q10 Rule3MemberedHeterocycle TODO Check if there are differences!
RuleQ11
RuleQ12	Identical to Cramer rules Q12 RuleHeteroaromatic
RuleQ13
RuleQ14_A	Similar to Cramer rules Q14 RuleManyAromaticRings14
RuleQ14_B
RuleQ15	Identical to Cramer Rule Q19 RuleIsOpenChain
RuleQ16	For this question, if A or B or C is true, then Q16 = YES If A and B and C are false, then Q16 = NO
RuleQ17	This rule considers ALL possible functional groups, not only the ones listed! based on toxTree.tree.cramer.Rule3FuncGroups
RuleQ18_AI	Very similar to Cramer rule Q18 @{link RuleKetoneAlcoholEtc} with additions
RuleQ18_JM
RuleQ19
RuleQ2
RuleQ20
RuleQ21
RuleQ22
RuleQ23	Identical to Cramer rules Q27 RuleRingsWithSubstituents
RuleQ24	Identical to Cramer rules Q28 RuleManyAromaticRings28
RuleQ25	Similar to Cramer rules Q30 RuleRingComplexSubstituents30 with addtions and changes
RuleQ26	Similar to Cramer rules Q6 RuleSomeBenzeneDerivatives with addtions
RuleQ27
RuleQ28
RuleQ29	Similar to Cramer rules Q33 RuleSufficientSulphonateGroups with addtions
RuleQ3	Derived from Cramer Q2 RuleToxicFunctionalGroups with additions and changes
RuleQ4	Derived from Cramer Rules Q3 RuleHasOtherThanC_H_O_N_S2 with additions and changes
RuleQ4A
RuleQ5	Derived from Q4 RuleHasOnlySaltSulphonateSulphate with additions and changes
RuleQ6	Derived from Cramer rules Q5 RuleSimplyBranchedAliphaticHydrocarbon with addition
RuleQ7	Identical to Cramer rules Q7 RuleHeterocyclic
RuleQ8
RuleQ9_A	Identical to Cramer rules Q8 RuleLactoneOrCyclicDiester
RuleQ9_B
RuleQ9_C
RuleQ9_D
RuleRingsSMARTSSubstituents
RuleSMARTSSubstructureHydrolysis
RuleSMARTSSubstructureTagged