tima - Taxonomically Informed Metabolite Annotation

This package provides the infrastructure to perform Taxonomically Informed Metabolite Annotation.

Last updated 2 days ago

metabolite annotationchemotaxonomyscoring systemnatural productscomputational metabolomicstaxonomic distancespecialized metabolome

6.55 score 9 stars 2 dependents 32 scripts

cascade - Contextualizing untargeted Annotation with Semi-quantitative Charged Aerosol Detection for pertinent characterization of natural Extracts

This package provides the infrastructure to perform Automated Composition Assessment of Natural Extracts.

Last updated 6 days ago

metabolite annotationcharged aerosol detectorsemi-quantitativenatural productscomputational metabolomicsspecialized metabolome

5.74 score 2 stars 1 dependents 40 scripts

SpectraToQueries - Spectra to queries

SpectraToQueries provides the infrastructure to translate spectra to queries.

Last updated 16 days ago

knowledge extractionspectral informationquerying system

3.02 score 1 stars