| /dports/science/cdk/cdk-cdk-2.3/descriptor/qsar/src/main/resources/ |
| H A D | qsar-descriptors.set | 1 org.openscience.cdk.qsar.descriptors.atomic.AtomDegreeDescriptor
2 org.openscience.cdk.qsar.descriptors.atomic.AtomHybridizationDescriptor
4 org.openscience.cdk.qsar.descriptors.atomic.AtomValenceDescriptor
5 org.openscience.cdk.qsar.descriptors.atomic.BondsToAtomDescriptor
6 org.openscience.cdk.qsar.descriptors.atomic.CovalentRadiusDescriptor
41 org.openscience.cdk.qsar.descriptors.molecular.APolDescriptor
49 org.openscience.cdk.qsar.descriptors.molecular.BCUTDescriptor
51 org.openscience.cdk.qsar.descriptors.molecular.BPolDescriptor
57 org.openscience.cdk.qsar.descriptors.molecular.CPSADescriptor
59 org.openscience.cdk.qsar.descriptors.molecular.FMFDescriptor
[all …]
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| /dports/science/cdk/cdk-cdk-2.3/descriptor/qsarmolecular/src/main/resources/META-INF/services/ |
| H A D | org.openscience.cdk.qsar.IMolecularDescriptor | 2 org.openscience.cdk.qsar.descriptors.molecular.FractionalCSP3Descriptor
3 org.openscience.cdk.qsar.descriptors.molecular.SmallRingDescriptor
5 org.openscience.cdk.qsar.descriptors.molecular.ZagrebIndexDescriptor
6 org.openscience.cdk.qsar.descriptors.molecular.XLogPDescriptor
8 org.openscience.cdk.qsar.descriptors.molecular.WHIMDescriptor
10 org.openscience.cdk.qsar.descriptors.molecular.WeightDescriptor
11 org.openscience.cdk.qsar.descriptors.molecular.VAdjMaDescriptor
12 org.openscience.cdk.qsar.descriptors.molecular.VABCDescriptor
13 org.openscience.cdk.qsar.descriptors.molecular.TPSADescriptor
19 org.openscience.cdk.qsar.descriptors.molecular.MDEDescriptor
[all …]
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| /dports/science/cdk/cdk-cdk-2.3/descriptor/qsaratomic/src/main/resources/META-INF/services/ |
| H A D | org.openscience.cdk.qsar.IAtomicDescriptor | 2 org.openscience.cdk.qsar.descriptors.atomic.VdWRadiusDescriptor
3 org.openscience.cdk.qsar.descriptors.atomic.StabilizationPlusChargeDescriptor
5 org.openscience.cdk.qsar.descriptors.atomic.RDFProtonDescriptor_GSR
6 org.openscience.cdk.qsar.descriptors.atomic.RDFProtonDescriptor_GHR_topol
7 org.openscience.cdk.qsar.descriptors.atomic.RDFProtonDescriptor_GHR
8 org.openscience.cdk.qsar.descriptors.atomic.RDFProtonDescriptor_GDR
9 org.openscience.cdk.qsar.descriptors.atomic.RDFProtonDescriptor_G3R
20 org.openscience.cdk.qsar.descriptors.atomic.IPAtomicHOSEDescriptor
26 org.openscience.cdk.qsar.descriptors.atomic.BondsToAtomDescriptor
27 org.openscience.cdk.qsar.descriptors.atomic.AtomValenceDescriptor
[all …]
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| /dports/science/cdk/cdk-cdk-2.3/descriptor/qsarmolecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/ |
| H A D | MannholdLogPDescriptor.java | 19 package org.openscience.cdk.qsar.descriptors.molecular;
25 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
26 import org.openscience.cdk.qsar.DescriptorSpecification;
27 import org.openscience.cdk.qsar.DescriptorValue;
28 import org.openscience.cdk.qsar.IDescriptor;
29 import org.openscience.cdk.qsar.IMolecularDescriptor;
30 import org.openscience.cdk.qsar.result.DoubleResult;
31 import org.openscience.cdk.qsar.result.DoubleResultType;
32 import org.openscience.cdk.qsar.result.IDescriptorResult;
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| H A D | VABCDescriptor.java | 19 package org.openscience.cdk.qsar.descriptors.molecular;
24 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
25 import org.openscience.cdk.qsar.DescriptorSpecification;
26 import org.openscience.cdk.qsar.DescriptorValue;
27 import org.openscience.cdk.qsar.IMolecularDescriptor;
28 import org.openscience.cdk.qsar.result.DoubleResult;
29 import org.openscience.cdk.qsar.result.DoubleResultType;
30 import org.openscience.cdk.qsar.result.IDescriptorResult;
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| H A D | FMFDescriptor.java | 21 package org.openscience.cdk.qsar.descriptors.molecular;
26 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
27 import org.openscience.cdk.qsar.DescriptorSpecification;
28 import org.openscience.cdk.qsar.DescriptorValue;
29 import org.openscience.cdk.qsar.IMolecularDescriptor;
30 import org.openscience.cdk.qsar.result.DoubleResult;
31 import org.openscience.cdk.qsar.result.DoubleResultType;
32 import org.openscience.cdk.qsar.result.IDescriptorResult;
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| H A D | FractionalCSP3Descriptor.java | 22 package org.openscience.cdk.qsar.descriptors.molecular;
29 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
30 import org.openscience.cdk.qsar.DescriptorSpecification;
31 import org.openscience.cdk.qsar.DescriptorValue;
32 import org.openscience.cdk.qsar.IMolecularDescriptor;
33 import org.openscience.cdk.qsar.result.DoubleResult;
34 import org.openscience.cdk.qsar.result.DoubleResultType;
35 import org.openscience.cdk.qsar.result.IDescriptorResult;
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| H A D | BasicGroupCountDescriptor.java | 19 package org.openscience.cdk.qsar.descriptors.molecular;
28 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
29 import org.openscience.cdk.qsar.DescriptorSpecification;
30 import org.openscience.cdk.qsar.DescriptorValue;
31 import org.openscience.cdk.qsar.IMolecularDescriptor;
32 import org.openscience.cdk.qsar.result.IDescriptorResult;
33 import org.openscience.cdk.qsar.result.IntegerResult;
34 import org.openscience.cdk.qsar.result.IntegerResultType;
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| H A D | WienerNumbersDescriptor.java | 20 package org.openscience.cdk.qsar.descriptors.molecular;
26 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
27 import org.openscience.cdk.qsar.DescriptorSpecification;
28 import org.openscience.cdk.qsar.DescriptorValue;
29 import org.openscience.cdk.qsar.IMolecularDescriptor;
30 import org.openscience.cdk.qsar.result.DoubleArrayResult;
31 import org.openscience.cdk.qsar.result.DoubleArrayResultType;
32 import org.openscience.cdk.qsar.result.IDescriptorResult;
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| H A D | VAdjMaDescriptor.java | 19 package org.openscience.cdk.qsar.descriptors.molecular;
24 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
25 import org.openscience.cdk.qsar.DescriptorSpecification;
26 import org.openscience.cdk.qsar.DescriptorValue;
27 import org.openscience.cdk.qsar.IMolecularDescriptor;
28 import org.openscience.cdk.qsar.result.DoubleResult;
29 import org.openscience.cdk.qsar.result.IDescriptorResult;
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| H A D | PetitjeanNumberDescriptor.java | 19 package org.openscience.cdk.qsar.descriptors.molecular;
24 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
25 import org.openscience.cdk.qsar.DescriptorSpecification;
26 import org.openscience.cdk.qsar.DescriptorValue;
27 import org.openscience.cdk.qsar.IMolecularDescriptor;
28 import org.openscience.cdk.qsar.result.DoubleResult;
29 import org.openscience.cdk.qsar.result.IDescriptorResult;
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| H A D | ZagrebIndexDescriptor.java | 19 package org.openscience.cdk.qsar.descriptors.molecular;
24 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
25 import org.openscience.cdk.qsar.DescriptorSpecification;
26 import org.openscience.cdk.qsar.DescriptorValue;
27 import org.openscience.cdk.qsar.IMolecularDescriptor;
28 import org.openscience.cdk.qsar.result.DoubleResult;
29 import org.openscience.cdk.qsar.result.IDescriptorResult;
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| H A D | FragmentComplexityDescriptor.java | 19 package org.openscience.cdk.qsar.descriptors.molecular;
23 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
24 import org.openscience.cdk.qsar.DescriptorSpecification;
25 import org.openscience.cdk.qsar.DescriptorValue;
26 import org.openscience.cdk.qsar.IMolecularDescriptor;
27 import org.openscience.cdk.qsar.result.DoubleResult;
28 import org.openscience.cdk.qsar.result.IDescriptorResult;
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| H A D | HybridizationRatioDescriptor.java | 22 package org.openscience.cdk.qsar.descriptors.molecular;
28 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
29 import org.openscience.cdk.qsar.DescriptorSpecification;
30 import org.openscience.cdk.qsar.DescriptorValue;
31 import org.openscience.cdk.qsar.IMolecularDescriptor;
32 import org.openscience.cdk.qsar.result.DoubleResult;
33 import org.openscience.cdk.qsar.result.IDescriptorResult;
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| H A D | EccentricConnectivityIndexDescriptor.java | 20 package org.openscience.cdk.qsar.descriptors.molecular;
26 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
27 import org.openscience.cdk.qsar.DescriptorSpecification;
28 import org.openscience.cdk.qsar.DescriptorValue;
29 import org.openscience.cdk.qsar.IMolecularDescriptor;
30 import org.openscience.cdk.qsar.result.IDescriptorResult;
31 import org.openscience.cdk.qsar.result.IntegerResult;
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| H A D | RuleOfFiveDescriptor.java | 19 package org.openscience.cdk.qsar.descriptors.molecular;
23 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
24 import org.openscience.cdk.qsar.DescriptorSpecification;
25 import org.openscience.cdk.qsar.DescriptorValue;
26 import org.openscience.cdk.qsar.IMolecularDescriptor;
27 import org.openscience.cdk.qsar.result.DoubleResult;
28 import org.openscience.cdk.qsar.result.IDescriptorResult;
29 import org.openscience.cdk.qsar.result.IntegerResult;
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| H A D | AcidicGroupCountDescriptor.java | 19 package org.openscience.cdk.qsar.descriptors.molecular;
29 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
30 import org.openscience.cdk.qsar.DescriptorSpecification;
31 import org.openscience.cdk.qsar.DescriptorValue;
32 import org.openscience.cdk.qsar.IMolecularDescriptor;
33 import org.openscience.cdk.qsar.result.IDescriptorResult;
34 import org.openscience.cdk.qsar.result.IntegerResult;
35 import org.openscience.cdk.qsar.result.IntegerResultType;
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| H A D | HBondDonorCountDescriptor.java | 19 package org.openscience.cdk.qsar.descriptors.molecular;
25 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
26 import org.openscience.cdk.qsar.DescriptorSpecification;
27 import org.openscience.cdk.qsar.DescriptorValue;
28 import org.openscience.cdk.qsar.IMolecularDescriptor;
29 import org.openscience.cdk.qsar.result.IDescriptorResult;
30 import org.openscience.cdk.qsar.result.IntegerResult;
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| /dports/science/cdk/cdk-cdk-2.3/descriptor/qsaratomic/src/main/java/org/openscience/cdk/qsar/descriptors/atomic/ |
| H A D | AtomValenceDescriptor.java | 20 package org.openscience.cdk.qsar.descriptors.atomic;
25 import org.openscience.cdk.qsar.AbstractAtomicDescriptor;
26 import org.openscience.cdk.qsar.AtomValenceTool;
27 import org.openscience.cdk.qsar.DescriptorSpecification;
28 import org.openscience.cdk.qsar.DescriptorValue;
29 import org.openscience.cdk.qsar.IAtomicDescriptor;
30 import org.openscience.cdk.qsar.result.IntegerResult;
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| H A D | AtomDegreeDescriptor.java | 23 package org.openscience.cdk.qsar.descriptors.atomic;
28 import org.openscience.cdk.qsar.AbstractAtomicDescriptor;
29 import org.openscience.cdk.qsar.DescriptorSpecification;
30 import org.openscience.cdk.qsar.DescriptorValue;
31 import org.openscience.cdk.qsar.IAtomicDescriptor;
32 import org.openscience.cdk.qsar.result.IntegerResult;
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| H A D | VdWRadiusDescriptor.java | 19 package org.openscience.cdk.qsar.descriptors.atomic;
24 import org.openscience.cdk.qsar.AbstractAtomicDescriptor;
25 import org.openscience.cdk.qsar.DescriptorSpecification;
26 import org.openscience.cdk.qsar.DescriptorValue;
27 import org.openscience.cdk.qsar.IAtomicDescriptor;
28 import org.openscience.cdk.qsar.result.DoubleResult;
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| /dports/science/cdk/cdk-cdk-2.3/descriptor/qsarbond/src/main/resources/META-INF/services/ |
| H A D | org.openscience.cdk.qsar.IBondDescriptor | 2 org.openscience.cdk.qsar.descriptors.bond.BondSigmaElectronegativityDescriptor
3 org.openscience.cdk.qsar.descriptors.bond.BondPartialTChargeDescriptor
4 org.openscience.cdk.qsar.descriptors.bond.BondPartialSigmaChargeDescriptor
5 org.openscience.cdk.qsar.descriptors.bond.BondPartialPiChargeDescriptor
6 org.openscience.cdk.qsar.descriptors.bond.AtomicNumberDifferenceDescriptor
11 #org.openscience.cdk.qsar.descriptors.bond.IPBondLearningDescriptor
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| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/ |
| H A D | IPMolecularLearningDescriptor.java | 19 package org.openscience.cdk.qsar.descriptors.molecular;
28 import org.openscience.cdk.qsar.AbstractMolecularDescriptor;
29 import org.openscience.cdk.qsar.DescriptorSpecification;
30 import org.openscience.cdk.qsar.DescriptorValue;
31 import org.openscience.cdk.qsar.IMolecularDescriptor;
32 import org.openscience.cdk.qsar.descriptors.bond.IPBondLearningDescriptor;
33 import org.openscience.cdk.qsar.result.DoubleArrayResult;
34 import org.openscience.cdk.qsar.result.DoubleResult;
35 import org.openscience.cdk.qsar.result.DoubleResultType;
36 import org.openscience.cdk.qsar.result.IDescriptorResult;
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| /dports/science/cdk/cdk-cdk-2.3/base/standard/src/main/java/org/openscience/cdk/qsar/ |
| H A D | DescriptorValue.java | 19 package org.openscience.cdk.qsar;
23 import org.openscience.cdk.qsar.result.BooleanResult;
24 import org.openscience.cdk.qsar.result.DoubleArrayResult;
25 import org.openscience.cdk.qsar.result.DoubleResult;
26 import org.openscience.cdk.qsar.result.IDescriptorResult;
27 import org.openscience.cdk.qsar.result.IntegerArrayResult;
28 import org.openscience.cdk.qsar.result.IntegerResult;
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| /dports/science/cdk/cdk-cdk-2.3/descriptor/qsarsubstance/src/main/java/org/openscience/cdk/qsar/descriptors/substance/ |
| H A D | OxygenAtomCountDescriptor.java | 17 package org.openscience.cdk.qsar.descriptors.substance;
24 import org.openscience.cdk.qsar.DescriptorSpecification;
25 import org.openscience.cdk.qsar.DescriptorValue;
26 import org.openscience.cdk.qsar.result.IDescriptorResult;
27 import org.openscience.cdk.qsar.result.IntegerResult;
28 import org.openscience.cdk.qsar.result.IntegerResultType;
|