-
Notifications
You must be signed in to change notification settings - Fork 2
/
Fingerprinter.xml
86 lines (86 loc) · 4.54 KB
/
Fingerprinter.xml
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
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="true"/>
<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="false"/>
</Group>
</Root>