Uses of Class
toxTree.tree.rules.smarts.RuleSMARTSubstructure

Packages that use RuleSMARTSubstructure
com.molecularnetworks.start.rules   
cramer2.rules   
eye.rules The package contains implementations of IDecisionRule rules for SicretRules decision tree. 
sicret.rules The package contains implementations of IDecisionRule rules for SicretRules decision tree. 
 

Uses of RuleSMARTSubstructure in com.molecularnetworks.start.rules
 

Subclasses of RuleSMARTSubstructure in com.molecularnetworks.start.rules
 class RuleAlcohols
          Biodegradation rule for alcohols.
 class RuleAldehyde
          Biodegradation rule for aldehydes.
 class RuleAliphaticCyclicNoBranches
          Biodegradation rule for aliphatic cyclic chemicals with no branches.
 class RuleAliphaticEther
          Biodegradation rule for aliphatic ethers.
 class RuleAliphaticFusedRingsNonBranched
          Biodegradation rule for aliphatic compounds consisting of fused rings and no branches.
 class RuleAlyphaticSulphonicAcids
          Biodegradation rule for aliphatic sulphonic acids.
 class RuleAminoAcids
          Biodegradation rule for amino acids.
 class RuleAromaticHalogen
          Biodegradation rule for chemicals with and Iodine, Chlorine, or Fluorine atom attached to an aromatic atom.
 class RuleAromaticNGroups
          Biodegradation rule for chemicals with an NO2, NH2, or NH attached to an aromatic atom.
 class RuleAromaticSulphonicAcid
          Biodegradation rule for aromatic sulphonic acids.
 class RuleAzoGroup
          Biodegradation rule for chemicals containing an azo group.
 class RuleCyanoGroupOnMoreThanEightAtomsChain
          Biodegradation rule for chemicals containing a cyano group that is attached to a more than 8 atoms chain.
 class RuleEpoxide
          Biodegradation rule for chemicals containing an epoxide functional group.
 class RuleEsters
          Biodegradation rule for esters.
 class RuleFormaldehyde
          Biodegradation rule for formaldehyde.
 class RuleHalogenSubstitutedBranched
          Biodegradation rule for branched, halogen substituted chemicals.
 class RuleKetone
          Biodegradation rule for ketones.
 class RuleMoreThanTwoHydroxyOnAromaticRing
          Biodegradation rule for chemicals with more than two hydroxy substituents on an aromatic ring.
 class RuleNitrile
          Biodegradation rule for nitriles.
 class RuleNNitroso
          Biodegradation rule for chemicals with an N-Nitroso (-N-N=0) group.
 class RuleOneHalogenOnUnbranched
          Biodegradation rule for unbranched chemicals with one halogen substituent.
 class RulePhosphateEsters
          Biodegradation rule for phosphoric esters.
 class RulePyridineRing
          Biodegradation rule for pyridines.
 class RuleTerminalIsopropylNonCyclic
          Biodegradation rule for a non-cyclic chemical with at least two terminal isopropyl groups.
 class RuleTerminalTertButyl
          Biodegradation rule for chemicals with a terminal tert-butyl branch.
 class RuleTertiaryAmine
          Biodegradation rule for tertiary amines.
 class RuleTriazineRing
          Biodegradation rule for chemicals containing triazine ring.
 class RuleTrifluoromethyl
          Biodegradation rule for chemicals containing trifluoromethyl group (-CF3).
 class RuleTwoHalogensOnUnbranchedNonCyclic
          Biodegradation rule for unbranched, non-cyclic chemicals with two halogen substituents.
 class RuleTwoTerminalDiaminoGroupsOnNonCyclic
          Biodegradation rule for chemicals with two terminal diamino groups that are not attached to a cycle.
 class RuleTwoTerminalDoubleBondsOnUnbranched
          Biodegradation rule for unbranched chemicals with two terminal double-bonded carbons.
 

Uses of RuleSMARTSubstructure in cramer2.rules
 

Subclasses of RuleSMARTSubstructure in cramer2.rules
 class RuleBenzeneAnalogues
          benzene analogues, with 0-6 substituents that consist of at most 1 heavy atom.
 class RuleDivalentSulphur
          Many kinds of divalent sulphurs, *-S-*, are synthetic and outside the scope of the Cramer dataset.
 

Uses of RuleSMARTSubstructure in eye.rules
 

Subclasses of RuleSMARTSubstructure in eye.rules
 class Rule22
          Substituted indoles
 

Uses of RuleSMARTSubstructure in sicret.rules
 

Subclasses of RuleSMARTSubstructure in sicret.rules
 class RuleA_Lactams
          A Lactams
 class RuleAcidImides
          Acid imides.
 class RuleAcrylicAndMethacrylicEsters
          Acrylic and methacrylic esters.
SMARTS pattern [CX3](=[CX3])[CX3](=[OX1])[OX2]C.
 class RuleAldehydes
          Aldehydes.
SMARTS pattern [$([CX3H][#6]),$([CX3H2])]=[OX1].
 class RuleAliphaticSaturatedAcidsAndHalogenatedAcids
          Aliphatic Saturated Acids and Halogenated Acids.
SMARTS pattern [AR0][CX3](=O)[OX2H1] [ClX1,BrX1][C;H2][CX3](=O)[OX2H1]
 class RuleAlkylAlkanolAmines
          Alkyl Alkanol Amines.
SMARTS pattern [OX2H][CX4][CX4][NX3;H2,H1;!$(NC=O)]
 class RuleAlphaAlkynes
          Alpha alkynes.
SMARTS pattern [CX4][CX2]#[CX2]
 class RuleAlphaHalogenatedAmidesAndThioamides
          Alpha Halogenated Amides And Thioamides
SMARTS pattern [CX3;$([R0][#6]Cl)](=[OX1])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])] [#6](Cl)[CX3;!R](=[SX1])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
 class RuleBenzylHalides
          Benwyl halides.
SMARTS pattern [ClX1,BrX1]Cc1ccccc1
 class RuleBetaLactones
          Beta lactones.
SMARTS pattern [#6][#6X3R](=[OX1])[#8X2][#6;!$(C=[O,N,S])]
 class RuleEpoxides
          Epoxides.
SMARTS pattern OX2r3]1[#6r3][#6r3]1
 class RuleEthyleneGlycolEthers
          Ethylene Glycol Ethers
SMARTS pattern [OX2H][CX4;$([H1]),$(C[#6])][CX4;$([H1]),$(C[#6])][OX2H]
 class RuleHalogenatedAlkanesAndAlkenes
          Halogenated Alkanes And Alkenes
SMARTS patterns [FX1,ClX1,BrX1,IX1][CX4H3] [FX1,ClX1,BrX1,IX1][CX4H2][#6] [FX1,ClX1,BrX1,IX1][CX3]=[CX3]
 class RuleHydroPeroxides
          HydroPeroxides.
SMARTS pattern [OX2H][OX2]
 class RuleKetenes
          Ketenes.
SMARTS pattern [CX3]=[CX2]=[OX1]
 class RuleKetones
          Ketones.
SMARTS pattern [#6][CX3](=[OX1])[#6]
 



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