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

Packages that use RuleSMARTSubstructureCDK

Package	Description
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.ames.rules
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

Modifier and Type	Class and Description
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

Modifier and Type	Class and Description
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

Modifier and Type	Class and Description
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

Modifier and Type	Class and Description
class	RulePhenols Phenols. Substructure c1ccccc1O[H]

Uses of RuleSMARTSubstructureCDK in toxtree.plugins.ames.rules

Subclasses of RuleSMARTSubstructureCDK in toxtree.plugins.ames.rules

Modifier and Type	Class and Description
class	SA57_Ames
class	SA58_Ames
class	SA59_Ames
class	SA60_Ames
class	SA61_Ames
class	SA62_Ames
class	SA63_Ames
class	SA64_Ames
class	SA65_Ames
class	SA66_Ames
class	SA67_Ames
class	SA68_Ames
class	SA69_Ames

Uses of RuleSMARTSubstructureCDK in toxtree.plugins.func.rules

Subclasses of RuleSMARTSubstructureCDK in toxtree.plugins.func.rules

Modifier and Type	Class and Description
class	FG1

Uses of RuleSMARTSubstructureCDK in toxTree.tree.rules

Subclasses of RuleSMARTSubstructureCDK in toxTree.tree.rules

Modifier and Type	Class and Description
class	StructureAlertCDK