IDecisionRule
rules for VerhaarScheme decision tree.See: Description
| Class | Description |
|---|---|
| Rule01 |
Consists only of C,H,N,O,S,halogens (exluding I).
|
| Rule03 |
Have a molecular mass (MW) not more than 600 Daltons.
|
| Rule11 |
Does not contain I.
|
| Rule13 |
Contain only C&H.
|
| Rule14 |
Contain only C,H and halogen.
|
| Rule141 |
Acyclic compound NOT containing halogen at beta-positions from unsaturations (e.g.
|
| Rule142 |
Monocyclic compounds substituted with halogens.
|
| Rule143 |
Monocyclic compounds that are unsubstituted or substituted with acyclic
structures containing only C&H or complying with rule
Rule141. |
| Rule144 |
Polycyclic compounds that are unsubstituted or substituted with acyclic structures containing only C&H or complying with
Rule141. |
| Rule15 |
Contain only C,H,O.
|
| Rule151 |
Linear ethers or monocyclic mono ethers, but not epoxides or peroxides.
|
| Rule152 |
Aliphatic alcohols but not allylic/propargylic alcohols.
|
| Rule153 |
Alcohols with aromatic moieties, but NOT phenols or benzylic alcohols.
|
| Rule154 |
Ketones, but not alpha-, beta unsaturated ketones (e.g.
|
| Rule16 |
Contain only C,H,N.
|
| Rule161 |
Aliphatic secondary or tertiary amines.
|
| Rule17 |
Contain only C,H,O and halogen.
|
| Rule171 |
Halogenated compounds that comply with rule
Rule15 but not alpha-, beta- halogen substituted compounds. |
| Rule21 |
Non- or weakly acidic phenols.
|
| Rule22 |
Anilines with one nitro substituent and/or one to three chlorine substituents, and/or alkyl substituents.
|
| Rule23 |
Be mononitroaromatics with one or two chlorine substituents and/or alkyl
substituents.
|
| Rule24 |
Primary alkyl amines (containing only C,H,N).
|
| Rule25 |
Pyridines with one or two chlorine substituents and/or alkyl substituents.
|
| Rule31 |
Possess alylic/propargylic activation.
|
| Rule32 |
Possess benzylic activation.
|
| Rule33 |
Be other compound with a (good) leaving group at an alpha position of a double or triple bond fragment.
|
| Rule34 |
Possess a three-membered heterocyclic ring.
|
| Rule35 |
Possess activated C-C double/triple bonds.
|
| Rule36 |
Hydrazines or other compounds with a single , double or triple N-N linkage.
|
| Rule37 |
Activated nitriles like alpha hydroxynitriles (cyanohidrins) or allylic /propargylic nitriles.
|
| Rule38 |
Contain one of the following structural entities:
|
| Rule4 |
Compounds acting by a specific mechanism.
|
| RuleAlertsClass1 | |
| RuleAlertsClass2 | |
| RuleAlertsClass3 | |
| RuleIonicGroups |
Uses
QueryAssociationBond ro verify if the query
compound has an ionic bond. |
| RuleLogPRange |
0 <= LogP <= 6.
|
| RuleRingMainStrucSubstituents | |
| RuleVerifyClass1Alerts | |
| RuleVerifyClass2Alerts | |
| RuleVerifyClass3Alerts | |
| VerhaarTreeResult |
IDecisionRule
rules for VerhaarScheme decision tree.Copyright © 2004–2018 Ideaconsult Ltd. All rights reserved.