FSKX Reader Deprecated

Reads an FSK object from an FSKX file.

XLogP 

Prediction of logP based on the atom-type method called XLogP.

RDKit Generate Coords Streamable

Generates coordinates (2D or 3D) for an input RDKit Mol column

XLS Data Reader 

Loads microbial data from an Excel spreadsheet

FeatureFinderMetaboIdent 

Detects features in MS1 data based on metabolite identifications.

FSK Editor Deprecated

Edit an FSK object

SpecLibSearcher 

Identifies peptide MS/MS spectra by spectral matching with a searchable spectral library.

Polygon Properties Streamable

Computes various properties for polygons.

FeatureLinkerLabeled 

Groups corresponding isotope-labeled features in a feature map.