You need to enable JavaScript to run this app.
🌳
Rowan
Try Rowan →
Last updated
Name
Rename workflow
Close modal
Name
Cancel
Rename
Share workflow “”
Close modal
Workflow is not shared.
Create Public Link
Done
Compare Descriptors Calculations
View all in folder
Principal Component Analysis
Include xTB descriptors? (good for conformers)
Run PCA
Module
Select All / None
ABCIndex
AcidBase
AdjacencyMatrix
Aromatic
AtomCount
Autocorrelation
BCUT
BalabanJ
BaryszMatrix
BertzCT
BondCount
CPSA
CarbonTypes
Chi
Constitutional
DetourMatrix
DistanceMatrix
EState
EccentricConnectivityIndex
ExtendedTopochemicalAtom
FragmentComplexity
Framework
GeometricalIndex
GravitationalIndex
HydrogenBond
InformationContent
KappaShapeIndex
Lipinski
LogS
McGowanVolume
MoRSE
MoeType
MolecularDistanceEdge
MolecularId
MomentOfInertia
PBF
PathCount
Polarizability
RingCount
RotatableBond
SLogP
TopoPSA
TopologicalCharge
TopologicalIndex
VdwVolumeABC
VertexAdjacencyInformation
WalkCount
Weight
WienerIndex
ZagrebIndex
xTB
Apply
CSV
Structure
Loading ...