RDKit Dictionary Substructure Filter (deprecated) Deprecated

Applies a number of substructure filters to an input RDKit Mol column. Please use the RDKit Molecule Substructure Filter instead.

AssayGeneratorMetaboSirius 

Assay library generation from a SIRIUS project directory (Metabolomics)

ProteinInference 

Protein inference based on an aggregation of the scores of the identified peptides.

SpecLibSearcher 

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

Multivariate Z-Primes 

Calculates the multivariate z-prime coefficients for all combinations of a selection of negative and a selection of positive controls over a […]

RDKit Molecule Substructure Filter 

Applies a number of substructure filters to an input RDKit Mol column.

Filter and Appender Applier 

Applies a filter and appender model.