Uses of Class
toxTree.tree.rules.smarts.RuleSMARTSubstructureCDK

Packages that use RuleSMARTSubstructureCDK
eye.rules The package contains implementations of IDecisionRule rules for SicretRules decision tree. 
mic.rules   
mutant.rules   
sicret.rules The package contains implementations of IDecisionRule rules for SicretRules decision tree. 
toxtree.plugins.func.rules   
toxTree.tree.rules The package contains several generic implementations of IDecisionRule rules 
 

Uses of RuleSMARTSubstructureCDK in eye.rules
 

Subclasses of RuleSMARTSubstructureCDK in eye.rules
 class Rule14Aliphatic_glycerol_monoethers
          LipidSolubility < 4.0
 class Rule15
          Acid anhydrides.
 class Rule16
          Halogen benzenes with substituents containing carboxylic acid groups
SMARTS pattern [CX3](=[OX1])[NX3H][CX3](=[OX1]).
 class Rule17
          Aliphatic esters of chloro formic acid
 class Rule18
          Chlorinated aliphatic alcohols
 class Rule19
          Diphenyl iodonium salts
 class Rule20
          Derivatives of alpha amino benzene
 class Rule21
          Pyrrolidones
 class Rule23
          Substituted pyrasoles
 class Rule24
           
 class Rule25
          Organic sulphonic salts
 class Rule26
          Thiazoles and thiazolidines
 class Rule27
           
 class Rule28
           
 class Rule29
           
 class Rule31
           
 class Rule32
           
 class Rule34
           
 class Rule35
           
 class Rule36
           
 class Rule37
           
 

Uses of RuleSMARTSubstructureCDK in mic.rules
 

Subclasses of RuleSMARTSubstructureCDK in mic.rules
 class SA1
           
 class SA10
           
 class SA11
          Aliphatic and aromatic aldehydes.
 class SA13
           
 class SA2
          SA2
 class SA22
           
 class SA23
           
 class SA24
           
 class SA25
           
 class SA27
          Nitro aromatic (and more).
 class SA28
          TODO - this is same as mutant.rules.SA28 -to reuse instead of copy
 class SA28bis
          Aromatic mono- and dialkylamine (with exceptions).
 class SA28ter
          Aromatic N-acyl amine.
 class SA29
           
 class SA4
           
 

Uses of RuleSMARTSubstructureCDK in mutant.rules
 

Subclasses of RuleSMARTSubstructureCDK in mutant.rules
 class QSAR6Applicable
           
 class RuleABUnsaturatedAldehyde
          Hits alfa-beta unsaturated aldehydes, exclude cyclic alfa-beta unsaturated aldehydes.
 class RuleAromaticDiazo
           
 class RuleDerivedAromaticAmines
           
 class SA1_gen
           
 class SA10_gen
           
 class SA11_gen
          Aliphatic and aromatic aldehydes.
 class SA13_gen
           
 class SA17_nogen
           
 class SA2_gen
          SA2_gen
 class SA22_gen
           
 class SA23_gen
           
 class SA24_gen
           
 class SA25_gen
           
 class SA27_gen
          Nitro aromatic (and more).
 class SA28bis_gen
          Aromatic mono- and dialkylamine (with exceptions).
 class SA28ter_gen
          Aromatic N-acyl amine.
 class SA29_gen
           
 class SA31a_nogen
          TODO Verify how many level of recursive smarts are supported TODO verify what's wrong with matching c;R
 class SA37_gen
           
 class SA38_gen
           
 class SA39_gen_and_nogen
           
 class SA4_gen
           
 class SA40_nogen
           
 class SA41_nogen
           
 class SA42_nogen
           
 class SA43_nogen
           
 class SA44_nogen
           
 class SA45_nogen
           
 class SA46_nogen
           
 class SA47_nogen
           
 class SA48_nogen
           
 class SA49_nogen
           
 class SA50_nogen
           
 class SA51_nogen
           
 class SA52_nogen
           
 class SA53_nogen
           
 class SA54_nogen
           
 class SA55_nogen
           
 class SA56_nogen
           
 

Uses of RuleSMARTSubstructureCDK in sicret.rules
 

Subclasses of RuleSMARTSubstructureCDK in sicret.rules
 class RulePhenols
          Phenols.
Substructure c1ccccc1O[H]
 

Uses of RuleSMARTSubstructureCDK in toxtree.plugins.func.rules
 

Subclasses of RuleSMARTSubstructureCDK in toxtree.plugins.func.rules
 class FG1
           
 

Uses of RuleSMARTSubstructureCDK in toxTree.tree.rules
 

Subclasses of RuleSMARTSubstructureCDK in toxTree.tree.rules
 class StructureAlertCDK
           
 



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