IDecisionRule
rules for SicretRules decision tree.See: Description
| Class | Description |
|---|---|
| Rule1 | |
| Rule13_AliphaticMonoalcohols |
A Lactams
|
| Rule14Aliphatic_glycerol_monoethers |
LipidSolubility < 4.0
|
| Rule15 |
Acid anhydrides.
|
| Rule16 |
Halogen benzenes with substituents containing carboxylic acid groups
SMARTS pattern [CX3](=[OX1])[NX3H][CX3](=[OX1]). |
| Rule17 |
Aliphatic esters of chloro formic acid
|
| Rule18 |
Chlorinated aliphatic alcohols
|
| Rule19 |
Diphenyl iodonium salts
|
| Rule20 |
Derivatives of alpha amino benzene
|
| Rule21 |
Pyrrolidones
|
| Rule22 |
Substituted indoles
|
| Rule23 |
Substituted pyrasoles
|
| Rule24 | |
| Rule25 |
Organic sulphonic salts
|
| Rule26 |
Thiazoles and thiazolidines
|
| Rule27 | |
| Rule28 | |
| Rule29 | |
| Rule30 |
TODO
Aliphatic monoalcohols
|
| Rule31 | |
| Rule32 | |
| Rule33 | |
| Rule34 | |
| Rule35 | |
| Rule36 | |
| Rule37 | |
| Rule38 | |
| Rule39 | |
| RuleAqueousSolubility |
Aqueous solubility [g/l] < 2.0E-5 Expects property to be read from IMolecule.getProperty(
RuleAqueousSolubility.AqueousSolubility). |
| RuleAqueousSolubility_10_2 |
AqueousSolubility < 0.1
|
| RuleAqueousSolubility_10_5 |
AqueousSolubility < 0.001
|
| RuleAqueousSolubility_11_7 | |
| RuleAqueousSolubility_8_3 | |
| RuleAqueousSolubility_8_4 | |
| RuleAqueousSolubility_9_3 |
AqueousSolubility < 0.0001
|
| RuleAqueousSolubility1 | |
| RuleHasOnlyC_H_O |
Contains only these elements C,O,H
|
| RuleHasOnlyC_H_O_Halogen |
Contains only these elements C,O,Halogen.
|
| RuleHasOnlyC_H_O_N |
Contains only these elements C,O,N.
|
| RuleHasOnlyC_H_O_N_Halogen |
Contains only these elements C,O,N,Halogen.
|
| RuleHasOnlyC_H_O_N_S |
Contains only these elements C,O,N,S,Halogen.
|
| RuleLipidSolubility |
LipidSolubility < 0.01.
|
| RuleLipidSolubility_10_4 |
LipidSolubility < 400.0
|
| RuleLipidSolubility_9_1 | |
| RuleLogP |
LogP > 9.0
Expects property to be read from IMolecule.getProperty( RuleLogP.LogKow). |
| RuleLogP_10_1 |
LogKow > 3.8
|
| RuleLogP_11_4 |
LogKow < -2
|
| RuleLogP_11_5 |
LogKow > 3.6
|
| RuleLogP_11_6 | |
| RuleLogP_12_4 |
LogP > 4.5
|
| RuleLogP_9_4 |
LogKow > 5.5
|
| RuleLogP1 | |
| RuleMelting_Point_11_3 |
MeltingPoint > 200.0
|
| RuleMeltingPoint_11_2 |
MeltingPoint > 200.0
|
| RuleMeltingPoint_12_3 |
MeltingPoint > 65.0
|
| RuleMeltingPoint_8_1 | |
| RuleMolWeight |
Molecular weight > 350.
|
| RuleMolWeight_10_3 |
Molecular Weight > 370.0
|
| RuleMolWeight_11_1 |
Molecular Weight > 620
|
| RuleMolweight_12_1 |
MoleculWeight > 370
|
| RuleMolWeight_12_2 |
Molecular Weight > 280
|
| RuleMolWeight_8_2 | |
| RuleMolWeight_9_2 |
MoleculWeight > 290.0
|
IDecisionRule
rules for SicretRules decision tree.Copyright © 2004–2018 Ideaconsult Ltd. All rights reserved.