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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,18 @@ | ||
| [theme] | ||
|
|
||
| # Primary accent for interactive elements | ||
| primaryColor = '#E694FF' | ||
|
|
||
| # Background color for the main content area | ||
| backgroundColor = '#00172B' | ||
|
|
||
| # Background color for sidebar and most interactive widgets | ||
| secondaryBackgroundColor = '#FFFFFF' | ||
|
|
||
| # Color used for almost all text | ||
| textColor = '#FFFFFF' | ||
|
|
||
| # Font family for all text in the app, except code blocks | ||
| # Accepted values (serif | sans serif | monospace) | ||
| # Default: "sans serif" | ||
| font = "sans serif" |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,86 @@ | ||
| <Root> | ||
| <Group name="2D"> | ||
| <Descriptor name="AcidicGroupCount" value="false"/> | ||
| <Descriptor name="ALOGP" value="false"/> | ||
| <Descriptor name="AminoAcidCount" value="false"/> | ||
| <Descriptor name="APol" value="false"/> | ||
| <Descriptor name="AromaticAtomsCount" value="false"/> | ||
| <Descriptor name="AromaticBondsCount" value="false"/> | ||
| <Descriptor name="AtomCount" value="false"/> | ||
| <Descriptor name="Autocorrelation" value="false"/> | ||
| <Descriptor name="BaryszMatrix" value="false"/> | ||
| <Descriptor name="BasicGroupCount" value="false"/> | ||
| <Descriptor name="BCUT" value="false"/> | ||
| <Descriptor name="BondCount" value="false"/> | ||
| <Descriptor name="BPol" value="false"/> | ||
| <Descriptor name="BurdenModifiedEigenvalues" value="false"/> | ||
| <Descriptor name="CarbonTypes" value="false"/> | ||
| <Descriptor name="ChiChain" value="false"/> | ||
| <Descriptor name="ChiCluster" value="false"/> | ||
| <Descriptor name="ChiPathCluster" value="false"/> | ||
| <Descriptor name="ChiPath" value="false"/> | ||
| <Descriptor name="Constitutional" value="false"/> | ||
| <Descriptor name="Crippen" value="false"/> | ||
| <Descriptor name="DetourMatrix" value="false"/> | ||
| <Descriptor name="EccentricConnectivityIndex" value="false"/> | ||
| <Descriptor name="EStateAtomType" value="false"/> | ||
| <Descriptor name="ExtendedTopochemicalAtom" value="false"/> | ||
| <Descriptor name="FMF" value="false"/> | ||
| <Descriptor name="FragmentComplexity" value="false"/> | ||
| <Descriptor name="HBondAcceptorCount" value="false"/> | ||
| <Descriptor name="HBondDonorCount" value="false"/> | ||
| <Descriptor name="HybridizationRatio" value="false"/> | ||
| <Descriptor name="InformationContent" value="false"/> | ||
| <Descriptor name="IPMolecularLearning" value="false"/> | ||
| <Descriptor name="KappaShapeIndices" value="false"/> | ||
| <Descriptor name="KierHallSmarts" value="false"/> | ||
| <Descriptor name="LargestChain" value="false"/> | ||
| <Descriptor name="LargestPiSystem" value="false"/> | ||
| <Descriptor name="LongestAliphaticChain" value="false"/> | ||
| <Descriptor name="MannholdLogP" value="false"/> | ||
| <Descriptor name="McGowanVolume" value="false"/> | ||
| <Descriptor name="MDE" value="false"/> | ||
| <Descriptor name="MLFER" value="false"/> | ||
| <Descriptor name="PathCount" value="false"/> | ||
| <Descriptor name="PetitjeanNumber" value="false"/> | ||
| <Descriptor name="RingCount" value="false"/> | ||
| <Descriptor name="RotatableBondsCount" value="false"/> | ||
| <Descriptor name="RuleOfFive" value="false"/> | ||
| <Descriptor name="Topological" value="false"/> | ||
| <Descriptor name="TopologicalCharge" value="false"/> | ||
| <Descriptor name="TopologicalDistanceMatrix" value="false"/> | ||
| <Descriptor name="TPSA" value="false"/> | ||
| <Descriptor name="VABC" value="false"/> | ||
| <Descriptor name="VAdjMa" value="false"/> | ||
| <Descriptor name="WalkCount" value="false"/> | ||
| <Descriptor name="Weight" value="false"/> | ||
| <Descriptor name="WeightedPath" value="false"/> | ||
| <Descriptor name="WienerNumbers" value="false"/> | ||
| <Descriptor name="XLogP" value="false"/> | ||
| <Descriptor name="ZagrebIndex" value="false"/> | ||
| </Group> | ||
| <Group name="3D"> | ||
| <Descriptor name="Autocorrelation3D" value="false"/> | ||
| <Descriptor name="CPSA" value="false"/> | ||
| <Descriptor name="GravitationalIndex" value="false"/> | ||
| <Descriptor name="LengthOverBreadth" value="false"/> | ||
| <Descriptor name="MomentOfInertia" value="false"/> | ||
| <Descriptor name="PetitjeanShapeIndex" value="false"/> | ||
| <Descriptor name="RDF" value="false"/> | ||
| <Descriptor name="WHIM" value="false"/> | ||
| </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="false"/> | ||
| <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="true"/> | ||
| </Group> | ||
| </Root> |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,86 @@ | ||
| <Root> | ||
| <Group name="2D"> | ||
| <Descriptor name="AcidicGroupCount" value="false"/> | ||
| <Descriptor name="ALOGP" value="false"/> | ||
| <Descriptor name="AminoAcidCount" value="false"/> | ||
| <Descriptor name="APol" value="false"/> | ||
| <Descriptor name="AromaticAtomsCount" value="false"/> | ||
| <Descriptor name="AromaticBondsCount" value="false"/> | ||
| <Descriptor name="AtomCount" value="false"/> | ||
| <Descriptor name="Autocorrelation" value="false"/> | ||
| <Descriptor name="BaryszMatrix" value="false"/> | ||
| <Descriptor name="BasicGroupCount" value="false"/> | ||
| <Descriptor name="BCUT" value="false"/> | ||
| <Descriptor name="BondCount" value="false"/> | ||
| <Descriptor name="BPol" value="false"/> | ||
| <Descriptor name="BurdenModifiedEigenvalues" value="false"/> | ||
| <Descriptor name="CarbonTypes" value="false"/> | ||
| <Descriptor name="ChiChain" value="false"/> | ||
| <Descriptor name="ChiCluster" value="false"/> | ||
| <Descriptor name="ChiPathCluster" value="false"/> | ||
| <Descriptor name="ChiPath" value="false"/> | ||
| <Descriptor name="Constitutional" value="false"/> | ||
| <Descriptor name="Crippen" value="false"/> | ||
| <Descriptor name="DetourMatrix" value="false"/> | ||
| <Descriptor name="EccentricConnectivityIndex" value="false"/> | ||
| <Descriptor name="EStateAtomType" value="false"/> | ||
| <Descriptor name="ExtendedTopochemicalAtom" value="false"/> | ||
| <Descriptor name="FMF" value="false"/> | ||
| <Descriptor name="FragmentComplexity" value="false"/> | ||
| <Descriptor name="HBondAcceptorCount" value="false"/> | ||
| <Descriptor name="HBondDonorCount" value="false"/> | ||
| <Descriptor name="HybridizationRatio" value="false"/> | ||
| <Descriptor name="InformationContent" value="false"/> | ||
| <Descriptor name="IPMolecularLearning" value="false"/> | ||
| <Descriptor name="KappaShapeIndices" value="false"/> | ||
| <Descriptor name="KierHallSmarts" value="false"/> | ||
| <Descriptor name="LargestChain" value="false"/> | ||
| <Descriptor name="LargestPiSystem" value="false"/> | ||
| <Descriptor name="LongestAliphaticChain" value="false"/> | ||
| <Descriptor name="MannholdLogP" value="false"/> | ||
| <Descriptor name="McGowanVolume" value="false"/> | ||
| <Descriptor name="MDE" value="false"/> | ||
| <Descriptor name="MLFER" value="false"/> | ||
| <Descriptor name="PathCount" value="false"/> | ||
| <Descriptor name="PetitjeanNumber" value="false"/> | ||
| <Descriptor name="RingCount" value="false"/> | ||
| <Descriptor name="RotatableBondsCount" value="false"/> | ||
| <Descriptor name="RuleOfFive" value="false"/> | ||
| <Descriptor name="Topological" value="false"/> | ||
| <Descriptor name="TopologicalCharge" value="false"/> | ||
| <Descriptor name="TopologicalDistanceMatrix" value="false"/> | ||
| <Descriptor name="TPSA" value="false"/> | ||
| <Descriptor name="VABC" value="false"/> | ||
| <Descriptor name="VAdjMa" value="false"/> | ||
| <Descriptor name="WalkCount" value="false"/> | ||
| <Descriptor name="Weight" value="false"/> | ||
| <Descriptor name="WeightedPath" value="false"/> | ||
| <Descriptor name="WienerNumbers" value="false"/> | ||
| <Descriptor name="XLogP" value="false"/> | ||
| <Descriptor name="ZagrebIndex" value="false"/> | ||
| </Group> | ||
| <Group name="3D"> | ||
| <Descriptor name="Autocorrelation3D" value="false"/> | ||
| <Descriptor name="CPSA" value="false"/> | ||
| <Descriptor name="GravitationalIndex" value="false"/> | ||
| <Descriptor name="LengthOverBreadth" value="false"/> | ||
| <Descriptor name="MomentOfInertia" value="false"/> | ||
| <Descriptor name="PetitjeanShapeIndex" value="false"/> | ||
| <Descriptor name="RDF" value="false"/> | ||
| <Descriptor name="WHIM" value="false"/> | ||
| </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="false"/> | ||
| <Descriptor name="SubstructureFingerprinter" value="false"/> | ||
| <Descriptor name="SubstructureFingerprintCount" value="false"/> | ||
| <Descriptor name="KlekotaRothFingerprinter" value="false"/> | ||
| <Descriptor name="KlekotaRothFingerprintCount" value="false"/> | ||
| <Descriptor name="AtomPairs2DFingerprinter" value="true"/> | ||
| <Descriptor name="AtomPairs2DFingerprintCount" value="false"/> | ||
| </Group> | ||
| </Root> |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,86 @@ | ||
| <Root> | ||
| <Group name="2D"> | ||
| <Descriptor name="AcidicGroupCount" value="false"/> | ||
| <Descriptor name="ALOGP" value="false"/> | ||
| <Descriptor name="AminoAcidCount" value="false"/> | ||
| <Descriptor name="APol" value="false"/> | ||
| <Descriptor name="AromaticAtomsCount" value="false"/> | ||
| <Descriptor name="AromaticBondsCount" value="false"/> | ||
| <Descriptor name="AtomCount" value="false"/> | ||
| <Descriptor name="Autocorrelation" value="false"/> | ||
| <Descriptor name="BaryszMatrix" value="false"/> | ||
| <Descriptor name="BasicGroupCount" value="false"/> | ||
| <Descriptor name="BCUT" value="false"/> | ||
| <Descriptor name="BondCount" value="false"/> | ||
| <Descriptor name="BPol" value="false"/> | ||
| <Descriptor name="BurdenModifiedEigenvalues" value="false"/> | ||
| <Descriptor name="CarbonTypes" value="false"/> | ||
| <Descriptor name="ChiChain" value="false"/> | ||
| <Descriptor name="ChiCluster" value="false"/> | ||
| <Descriptor name="ChiPathCluster" value="false"/> | ||
| <Descriptor name="ChiPath" value="false"/> | ||
| <Descriptor name="Constitutional" value="false"/> | ||
| <Descriptor name="Crippen" value="false"/> | ||
| <Descriptor name="DetourMatrix" value="false"/> | ||
| <Descriptor name="EccentricConnectivityIndex" value="false"/> | ||
| <Descriptor name="EStateAtomType" value="false"/> | ||
| <Descriptor name="ExtendedTopochemicalAtom" value="false"/> | ||
| <Descriptor name="FMF" value="false"/> | ||
| <Descriptor name="FragmentComplexity" value="false"/> | ||
| <Descriptor name="HBondAcceptorCount" value="false"/> | ||
| <Descriptor name="HBondDonorCount" value="false"/> | ||
| <Descriptor name="HybridizationRatio" value="false"/> | ||
| <Descriptor name="InformationContent" value="false"/> | ||
| <Descriptor name="IPMolecularLearning" value="false"/> | ||
| <Descriptor name="KappaShapeIndices" value="false"/> | ||
| <Descriptor name="KierHallSmarts" value="false"/> | ||
| <Descriptor name="LargestChain" value="false"/> | ||
| <Descriptor name="LargestPiSystem" value="false"/> | ||
| <Descriptor name="LongestAliphaticChain" value="false"/> | ||
| <Descriptor name="MannholdLogP" value="false"/> | ||
| <Descriptor name="McGowanVolume" value="false"/> | ||
| <Descriptor name="MDE" value="false"/> | ||
| <Descriptor name="MLFER" value="false"/> | ||
| <Descriptor name="PathCount" value="false"/> | ||
| <Descriptor name="PetitjeanNumber" value="false"/> | ||
| <Descriptor name="RingCount" value="false"/> | ||
| <Descriptor name="RotatableBondsCount" value="false"/> | ||
| <Descriptor name="RuleOfFive" value="false"/> | ||
| <Descriptor name="Topological" value="false"/> | ||
| <Descriptor name="TopologicalCharge" value="false"/> | ||
| <Descriptor name="TopologicalDistanceMatrix" value="false"/> | ||
| <Descriptor name="TPSA" value="false"/> | ||
| <Descriptor name="VABC" value="false"/> | ||
| <Descriptor name="VAdjMa" value="false"/> | ||
| <Descriptor name="WalkCount" value="false"/> | ||
| <Descriptor name="Weight" value="false"/> | ||
| <Descriptor name="WeightedPath" value="false"/> | ||
| <Descriptor name="WienerNumbers" value="false"/> | ||
| <Descriptor name="XLogP" value="false"/> | ||
| <Descriptor name="ZagrebIndex" value="false"/> | ||
| </Group> | ||
| <Group name="3D"> | ||
| <Descriptor name="Autocorrelation3D" value="false"/> | ||
| <Descriptor name="CPSA" value="false"/> | ||
| <Descriptor name="GravitationalIndex" value="false"/> | ||
| <Descriptor name="LengthOverBreadth" value="false"/> | ||
| <Descriptor name="MomentOfInertia" value="false"/> | ||
| <Descriptor name="PetitjeanShapeIndex" value="false"/> | ||
| <Descriptor name="RDF" value="false"/> | ||
| <Descriptor name="WHIM" value="false"/> | ||
| </Group> | ||
| <Group name="Fingerprint"> | ||
| <Descriptor name="Fingerprinter" value="false"/> | ||
| <Descriptor name="ExtendedFingerprinter" value="false"/> | ||
| <Descriptor name="EStateFingerprinter" value="true"/> | ||
| <Descriptor name="GraphOnlyFingerprinter" value="false"/> | ||
| <Descriptor name="MACCSFingerprinter" value="false"/> | ||
| <Descriptor name="PubchemFingerprinter" value="false"/> | ||
| <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> |
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