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Packages that use RuleSMARTSubstructureCDK | |
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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 |
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Subclasses of RuleSMARTSubstructureCDK in eye.rules | |
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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 |
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Subclasses of RuleSMARTSubstructureCDK in mic.rules | |
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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 |
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Subclasses of RuleSMARTSubstructureCDK in mutant.rules | |
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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 |
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Subclasses of RuleSMARTSubstructureCDK in sicret.rules | |
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class |
RulePhenols
Phenols. Substructure c1ccccc1O[H] |
Uses of RuleSMARTSubstructureCDK in toxtree.plugins.func.rules |
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Subclasses of RuleSMARTSubstructureCDK in toxtree.plugins.func.rules | |
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class |
FG1
|
Uses of RuleSMARTSubstructureCDK in toxTree.tree.rules |
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Subclasses of RuleSMARTSubstructureCDK in toxTree.tree.rules | |
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class |
StructureAlertCDK
|
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