Package eye.rules

The package contains implementations of 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
 

Package eye.rules Description

The package contains implementations of IDecisionRule rules for SicretRules decision tree.



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