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IDecisionRule
rules for SicretRules
decision tree.
See:
Description
Class Summary | |
---|---|
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 |
The package contains implementations of IDecisionRule
rules for SicretRules
decision tree.
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