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descriptors.xml
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descriptors.xml
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<Root>
<Group name="2D">
<Descriptor name="AcidicGroupCount" value="true"/>
<Descriptor name="ALOGP" value="true"/>
<Descriptor name="AminoAcidCount" value="false"/>
<Descriptor name="APol" value="true"/>
<Descriptor name="AromaticAtomsCount" value="true"/>
<Descriptor name="AromaticBondsCount" value="true"/>
<Descriptor name="AtomCount" value="true"/>
<Descriptor name="Autocorrelation" value="true"/>
<Descriptor name="BaryszMatrix" value="true"/>
<Descriptor name="BasicGroupCount" value="true"/>
<Descriptor name="BCUT" value="true"/>
<Descriptor name="BondCount" value="true"/>
<Descriptor name="BPol" value="true"/>
<Descriptor name="BurdenModifiedEigenvalues" value="true"/>
<Descriptor name="CarbonTypes" value="true"/>
<Descriptor name="ChiChain" value="true"/>
<Descriptor name="ChiCluster" value="true"/>
<Descriptor name="ChiPathCluster" value="true"/>
<Descriptor name="ChiPath" value="true"/>
<Descriptor name="Constitutional" value="true"/>
<Descriptor name="Crippen" value="true"/>
<Descriptor name="DetourMatrix" value="true"/>
<Descriptor name="EccentricConnectivityIndex" value="true"/>
<Descriptor name="EStateAtomType" value="true"/>
<Descriptor name="ExtendedTopochemicalAtom" value="true"/>
<Descriptor name="FMF" value="true"/>
<Descriptor name="FragmentComplexity" value="true"/>
<Descriptor name="HBondAcceptorCount" value="true"/>
<Descriptor name="HBondDonorCount" value="true"/>
<Descriptor name="HybridizationRatio" value="true"/>
<Descriptor name="InformationContent" value="true"/>
<Descriptor name="IPMolecularLearning" value="false"/>
<Descriptor name="KappaShapeIndices" value="true"/>
<Descriptor name="KierHallSmarts" value="false"/>
<Descriptor name="LargestChain" value="true"/>
<Descriptor name="LargestPiSystem" value="true"/>
<Descriptor name="LongestAliphaticChain" value="true"/>
<Descriptor name="MannholdLogP" value="true"/>
<Descriptor name="McGowanVolume" value="true"/>
<Descriptor name="MDE" value="true"/>
<Descriptor name="MLFER" value="true"/>
<Descriptor name="PathCount" value="true"/>
<Descriptor name="PetitjeanNumber" value="true"/>
<Descriptor name="RingCount" value="true"/>
<Descriptor name="RotatableBondsCount" value="true"/>
<Descriptor name="RuleOfFive" value="true"/>
<Descriptor name="Topological" value="true"/>
<Descriptor name="TopologicalCharge" value="true"/>
<Descriptor name="TopologicalDistanceMatrix" value="true"/>
<Descriptor name="TPSA" value="true"/>
<Descriptor name="VABC" value="true"/>
<Descriptor name="VAdjMa" value="true"/>
<Descriptor name="WalkCount" value="true"/>
<Descriptor name="Weight" value="true"/>
<Descriptor name="WeightedPath" value="true"/>
<Descriptor name="WienerNumbers" value="true"/>
<Descriptor name="XLogP" value="true"/>
<Descriptor name="ZagrebIndex" value="true"/>
</Group>
<Group name="3D">
<Descriptor name="Autocorrelation3D" value="true"/>
<Descriptor name="CPSA" value="true"/>
<Descriptor name="GravitationalIndex" value="true"/>
<Descriptor name="LengthOverBreadth" value="true"/>
<Descriptor name="MomentOfInertia" value="true"/>
<Descriptor name="PetitjeanShapeIndex" value="true"/>
<Descriptor name="RDF" value="true"/>
<Descriptor name="WHIM" value="true"/>
</Group>
<Group name="Fingerprint">
<Descriptor name="Fingerprinter" value="false"/>
<Descriptor name="ExtendedFingerprinter" value="false"/>
<Descriptor name="EStateFingerprinter" value="false"/>
<Descriptor name="GraphOnlyFingerprinter" value="false"/>
<Descriptor name="MACCSFingerprinter" value="false"/>
<Descriptor name="PubchemFingerprinter" value="true"/>
<Descriptor name="SubstructureFingerprinter" value="false"/>
<Descriptor name="SubstructureFingerprintCount" value="false"/>
<Descriptor name="KlekotaRothFingerprinter" value="false"/>
<Descriptor name="KlekotaRothFingerprintCount" value="false"/>
<Descriptor name="AtomPairs2DFingerprinter" value="false"/>
<Descriptor name="AtomPairs2DFingerprintCount" value="false"/>
</Group>
</Root>