toxTree.tree.rules.smarts
Interface IRuleSMARTSubstructures
- All Superinterfaces:
- IImplementationDetails
- All Known Implementing Classes:
- AbstractRuleSmartSubstructure, AcylTransferRule, AcylTransferRule, AcylTransferRule, DNABindingRule, FG, FG1, FG10, FG11, FG12, FG13, FG14, FG15, FG16, FG17, FG18, FG19, FG2, FG20, FG21, FG22, FG23_1, FG23_2, FG23_3, FG23_4, FG23_5, FG23_6, FG23_7, FG23_8, FG23_LS, FG24_1, FG24_2, FG24_3, FG24_LS, FG25, FG26, FG27, FG28, FG29, FG3_1, FG3_2, FG3_LS, FG30, FG31_1, FG31_2, FG31_3, FG31_4, FG31_5, FG31_6, FG31_7, FG31_8, FG31_9, FG31_LS, FG32, FG33_1, FG33_2, FG33_3, FG33_4, FG33_5, FG33_6, FG33_7, FG33_8, FG33_LS, FG34_1, FG34_2, FG34_LS, FG35_1, FG35_10, FG35_11, FG35_12, FG35_13, FG35_2, FG35_3, FG35_4, FG35_5, FG35_6, FG35_7, FG35_8, FG35_9, FG35_LS, FG36, FG37_1, FG37_2, FG37_3, FG37_4, FG37_LS, FG38, FG39, FG4, FG4_1, FG4_2, FG4_LS, FG40, FG41_1, FG41_2, FG41_3, FG41_4, FG41_5, FG41_LS, FG42, FG43, FG44, FG45, FG46_1, FG46_2, FG46_LS, FG47, FG48_1, FG48_2, FG48_LS, FG49, FG5, FG50_1, FG50_2, FG50_3, FG50_LS, FG51_1, FG51_2, FG51_3, FG51_LS, FG52_1, FG52_2, FG52_3, FG52_LS, FG53_1, FG53_2, FG53_3, FG53_LS, FG54, FG55, FG56, FG57, FG58, FG59, FG6, FG60, FG61, FG62, FG63, FG64, FG65, FG66, FG67, FG68, FG69, FG7, FG70, FG71, FG72, FG73, FG74_1, FG74_2, FG74_3, FG74_4, FG74_5, FG74_6, FG74_7, FG74_LS, FG75_1, FG75_2, FG75_3, FG75_4, FG75_LS, FG76, FG77, FG78_1, FG78_2, FG78_3, FG78_4, FG78_LS, FG79_1, FG79_2, FG79_3, FG79_4, FG79_LS, FG8, FG80_1, FG80_2, FG80_LS, FG81_1, FG81_2, FG81_3, FG81_4, FG81_LS, FG82_1, FG82_2, FG82_3, FG82_4, FG82_LS, FG83_1, FG83_2, FG83_3, FG83_4, FG83_LS, FG84_1, FG84_2, FG84_LS, FG85, FG86, FG87, FG88, FG89, FG9, FG90, KroesRule3, KroesRule6, MichaelAcceptorRule, MichaelAcceptorRule, MichaelAcceptorRule, PB29, PB30, ProteinBindingRule, QSAR6Applicable, Rule1, Rule10A, Rule10B, Rule11, Rule12A, Rule12B, Rule13A, Rule13B, Rule14, Rule14Aliphatic_glycerol_monoethers, Rule15, Rule151, Rule152, Rule153, Rule154, Rule16, Rule17, Rule171, Rule18, Rule19, Rule2, Rule20, Rule21, Rule22, Rule23, Rule24, Rule24, Rule25, Rule26, Rule27, Rule28, Rule29, Rule3, Rule31, Rule31, Rule32, Rule32, Rule33, Rule33, Rule34, Rule34, Rule35, Rule35, Rule36, Rule36, Rule37, Rule37, Rule38, Rule39, Rule4, Rule4A, Rule4B, Rule5, Rule6, Rule7, Rule8, Rule9A, Rule9B, RuleA_Lactams, RuleABUnsaturatedAldehyde, RuleAcidImides, RuleAcrylicAndMethacrylicEsters, RuleAlcohol, RuleAlcohols, RuleAldehyde, RuleAldehyde, RuleAldehydes, RuleAlertsNarcosis1_1_1, RuleAlertsNarcosis1_1_1_1, RuleAlertsNarcosis1_1_2, RuleAlertsNarcosis1_1_2_1, RuleAlertsNarcosis1_1_2_3, RuleAliphaticCyclicNoBranches, RuleAliphaticEther, RuleAliphaticFusedRingsNonBranched, RuleAliphaticSaturatedAcidsAndHalogenatedAcids, RuleAlkylAldehyde, RuleAlkylAlkanolAmines, RuleAlkylHydrazine, RuleAlkylPhosphonate, RuleAlphaAlkynes, RuleAlphaHalogenatedAmidesAndThioamides, RuleAlyphaticSulphonicAcids, RuleAmine, RuleAminoAcids, RuleAromatic, RuleAromaticAldehyde, RuleAromaticAmineNoSulfonicGroup, RuleAromaticAzo, RuleAromaticDiazo, RuleAromaticHalogen, RuleAromaticNGroups, RuleAromaticNitro, RuleAromaticSulphonicAcid, RuleArylMethylHalide, RuleAziridine, RuleAzo, RuleAzoGroup, RuleBenzene, RuleBenzeneAnalogues, RuleBenzylHalides, RuleBetaLactones, RuleCyanoGroupOnMoreThanEightAtomsChain, RuleDerivedAromaticAmines, RuleDivalentSulphur, RuleEpoxide, RuleEpoxide, RuleEpoxides, RuleEsters, RuleEther, RuleEthyleneGlycolEthers, RuleFormaldehyde, RuleFreeABUnsaturatedHetero, RuleFuran, RuleHalide, RuleHalogenatedAlkanesAndAlkenes, RuleHalogenSubstitutedBranched, RuleHeteroaromatic, RuleHeterocycle, RuleHydrazine, RuleHydroPeroxides, RuleIminomethyl, RuleIsAromatic, RuleKetenes, RuleKetone, RuleKetone, RuleKetones, RuleMoreThanTwoHydroxyOnAromaticRing, RuleNChloramine, RuleNHydroxy, RuleNitrile, RuleNitro, RuleNitrogenMustard, RuleNitrosamine, RuleNitroso, RuleNMethylol, RuleNNitroso, RuleNOxide, RuleNucleosides, RuleOneHalogenOnUnbranched, RulePhenols, RulePhosphateEsters, RulePhosphoricGroups, RuleprimaryAlkylHalide, RulePropiolactone, RulePyridineRing, RuleSMARTSSubstructureAmbit, RuleSMARTSubstructure, RuleSMARTSubstructureCDK, RuleTerminalIsopropylNonCyclic, RuleTerminalTertButyl, RuleTertiaryAmine, RuleTriazineRing, RuleTrifluoromethyl, RuleTwoHalogensOnUnbranchedNonCyclic, RuleTwoTerminalDiaminoGroupsOnNonCyclic, RuleTwoTerminalDoubleBondsOnUnbranched, RuleUnchargedOrganophosphates, RuleUrethaneDerivatives, SA1, SA1_gen, SA10, SA10_gen, SA11, SA11_gen, SA12, SA12_gen, SA13, SA13_gen, SA14, SA14_gen, SA15, SA15_gen, SA16, SA16_gen, SA17_nogen, SA18, SA18_gen, SA19, SA19_gen, SA2, SA2_gen, SA21, SA21_gen, SA22, SA22_gen, SA23, SA23_gen, SA24, SA24_gen, SA25, SA25_gen, SA26_gen, SA27, SA27_gen, SA28, SA28_gen, SA28bis, SA28bis_gen, SA28ter, SA28ter_gen, SA29, SA29_gen, SA3, SA3_gen, SA30, SA30_gen, SA31a_nogen, SA31b_nogen, SA31c_nogen, SA32, SA33, SA34, SA35, SA36, SA37_gen, SA38_gen, SA39_gen_and_nogen, SA4, SA4_gen, SA40_nogen, SA41_nogen, SA42_nogen, SA43_nogen, SA44_nogen, SA45_nogen, SA46_nogen, SA47_nogen, SA48_nogen, SA49_nogen, SA5, SA5_gen, SA50_nogen, SA51_nogen, SA52_nogen, SA53_nogen, SA54_nogen, SA55_nogen, SA56_nogen, SA6, SA6_gen, SA7, SA7_gen, SA8, SA8_gen, SA9, SA9_gen, ShiffBaseRule, ShiffBaseRule, ShiffBaseRule, SkinSensitisationRule, SN1Rule, SN2Rule, SN2Rule, SN2Rule, SNARRule, SNARRule, StructureAlert, StructureAlertAmbit, StructureAlertCDK
public interface IRuleSMARTSubstructures
- extends IImplementationDetails
addSubstructure
void addSubstructure(java.lang.String smarts)
throws ambit2.smarts.query.SMARTSException
- Throws:
ambit2.smarts.query.SMARTSException
addSubstructure
void addSubstructure(java.lang.String title,
java.lang.String smarts)
throws ambit2.smarts.query.SMARTSException
- Throws:
ambit2.smarts.query.SMARTSException
setSubstructure
void setSubstructure(java.lang.String title,
java.lang.String smarts)
throws ambit2.smarts.query.SMARTSException
- Throws:
ambit2.smarts.query.SMARTSException
getSubstructure
java.lang.String getSubstructure(java.lang.String title)
throws ambit2.smarts.query.SMARTSException
- Parameters:
title
-
- Returns:
- smarts, corresponding to title
- Throws:
ambit2.smarts.query.SMARTSException
clearSubstructures
void clearSubstructures()
deleteSubstructure
void deleteSubstructure(java.lang.String title)
containsAllSubstructures
boolean containsAllSubstructures()
setContainsAllSubstructures
void setContainsAllSubstructures(boolean value)
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