One dashboard for all your data: chromatograms, spectra, structures, biotransformation maps, metabolite tables, and kinetic plots.
Double-check metabolite identities with mirror plots to compare to the parent compound.
MetaSense® Overview
Understand Your Biotransformation Data
MetaSense helps you make sense of all your metabolite identification (MetID) data. Move beyond complex workflows that have you flipping back and forth between a dozen programs.
With a single interface for prediction, data analysis, and knowledge dashboards, make data-driven decisions swiftly.
- Collect all your MetID data and view it in one place
- Auto-generate biotransformation maps and kinetic plots
- Click between interactively linked maps and plots to see your data at any depth
- Reprocess data directly from MetaSense
- Draw conclusions about a drug candidate’s metabolism and viability
Benefits
One Stop for Your MetID Analysis
Get straight to what matters
- Jump straight to what you want to know: how your compound metabolizes
- Breeze through deconvolution, peak detection, peak assignment, and integration with MetaSense’s built-in algorithms
- Get biotransformation maps and kinetic plots auto-generated for you
Understand in a glance
- See everything at once—chromatograms, spectra, biotransformation maps, metabolite tables, and kinetic plots
- No more flipping between half-a-dozen windows to understand your data and analysis.
Review the data
- Interactive linking makes accessing the raw data easy
- Delve straight from a summary table or plot into the original chromatograms and spectra, and reanalyze as needed
Share your results
- Produce customizable reports
- Share results with colleagues across your enterprise
- 1 Draw your metabolite and predict its biotransformation using the built-in probabilistic model. Or import metabolite predictions from third-party files.
- 2 Acquire data.
- 3 Import your data into MetaSense. (Or set up your network for automatic import.)
- 4 Review the data analysis. Check the mirror plots to confirm identified metabolites. Revise processing parameters if necessary.
- 5 Draw conclusions about your compound’s metabolism from the biotransformation map and kinetic plot.
- 6 Report your results.
Product Features
Features of MetaSense
- Predict metabolites using the built-in probabilistic, structure-based prediction model
- Define your own unique metabolic reactions
- Filter metabolites based on specific Phase I & II reactions
- Select specific reaction types (e.g., amide hydrolysis, GSH conjugation) for prediction
- Import prediction lists from third-party software (Meteor Nexus and MetaSite) or your own list of metabolites
- Manually add missing metabolites if necessary
- Import files in all major-instrument-vendor formats
Review the list of supported formats - Batch process data with the easy-to-use wizard
- Handle all the data from a series of related incubation studies in one go
- Use the fractional mass filter for unexpected and untargeted metabolites
- Verify structures based on MS/MS spectra in conjunction with logD predictions
- Manually add a metabolite, and MetaSense will screen the LC/MS data for matching peaks across all timepoints
- See your project at a glance with a dashboard that displays the biotransformation map, kinetic plot, metabolite table, chromatograms, spectra, and associated analytical data
- Chemical structures and analytical data are interlinked for easy navigation
- Data is live (can be reprocessed and reanalyzed)
- Use the mirrored plot view to compare parent and metabolite MS/MS spectra, and confirm metabolite identities
- Mark ambiguous structures with Markush notation
- Manually reduce Markush structures to discrete structures as additional data is available
- Automatically generate biotransformation maps
- Automatically generate stability and kinetic plots for your API and metabolite(s)
- Add additional metabolites to the map as necessary
- Seamlessly update across the dataset: automatically find added metabolites in the data and add them to the metabolite table and kinetic plot
- Create species-specific biotransformation maps (e.g., human, mouse, rat, dog)
- View a global biotransformation map containing all metabolites detected in all species
- Store your project in a searchable, shareable database
- Include structures (including substructures and Markush structures), reactions, biotransformation maps, spectra, formula weight, and metadata (e.g., sample name, instrument)
- Link to associated documents (e.g., .docx, .xlsx, .pptx, .pdf, .txt)
- Search by structure, spectra, text, or other parameters
- Save complex search queries to repeat your search in other databases
- Give collaborators access to data and results via the MetaSense web portal
- Built on JavaScript and accessible from any browser
- Produce detailed reports as Word documents, PDF files, and *.sk2 files
- Create customized report templates
- Use the processing interface as a stand-alone data processor and analyzer to process your other MS, LC/MS, and GS/MS data
- Process data from other techniques (NMR, IR, etc.) See all supported data formats
