| Package | Description |
|---|---|
| mic.rules | |
| sicret.rules |
The package contains implementations of
IDecisionRule
rules for SicretRules decision tree. |
| toxTree.tree.cramer |
Class
CramerRules is the implementation of Cramer rules [Cramer et al,78]. |
| verhaar.rules.helper |
| Modifier and Type | Class and Description |
|---|---|
class |
SA26
Aromatic ring N-oxide.
|
| Modifier and Type | Class and Description |
|---|---|
class |
RuleAcidAnhydrides
Acid anhydrides.
|
class |
RuleAromaticAmines
Aromatic Amines.
SMARTS pattern [NX3,NX4+;!$([N]~[!#6]);!$([N]*~[#7,#8,#15,#16])] |
class |
RuleC10_C20AliphaticAlcohols
C10-C20 Aliphatic Alcohols.
SMARTS pattern [AR0][OH] |
class |
RuleCarbamoylHalide
Carbamoyl Halide.
|
class |
RuleCatecholsResorcinolsHydroquinones
Catechols, Resorcinols Hydroquinones.
|
class |
RuleDi_Tri_Nitrobenzenes
Di & Tri-Nitrobenzenes.
|
class |
RuleHalonitrobenzene
Halonitrobenzene.
|
class |
RuleOandPQuinones
O and P Quinones.
Substructures O=C1C=CC=CC1(=O) O=C1C=CC(=O)C=C1 |
class |
RuleQuaternaryOrganicAmmoniumAndPhosphoniumSalts
Rule Quaternary Organic Ammonium And Phosphonium Salts
|
class |
RuleTriAndTetraHalogenatedBenzenes
Tri And Tetra Halogenated Benzenes.
Substructure ClC1=CC(Cl)C(Cl)C(Cl)C1 ClC1C=CC(Cl)C(Cl)C1(Cl) ClC1C=CCC(Cl)C1(Cl) |
| Modifier and Type | Class and Description |
|---|---|
class |
RuleLactonesFusedOrUnsaturated
Rule 9 of the Cramer scheme (see
CramerRules) |
| Modifier and Type | Class and Description |
|---|---|
class |
RuleAnySubstructureCounter |
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