Overview
MAMSI combines assay data blocks with multiblock partial least squares, feature-importance assessment and feature-link exploration using m/z and retention time.
What can this tool do?
Common uses
- Integrate multiple LC-MS assays using multiblock statistical models.
Scientific fit
Primary function
Statistical analysis
Data compatibility
Inputs
Feature or peak table, Sample metadata
Outputs
Statistical results, Human-readable report
Input formats
Assay-specific abundance matrices, matched sample metadata and response values
Output formats
Python model/results objects, feature scores and network visualizations
Scope and considerations
Designed for
- MAMSI combines assay data blocks with multiblock partial least squares, feature-importance assessment and feature-link exploration using m/z and retention time.
Not designed for
- Raw LC-MS processing or universal metabolite identification.
Important requirements
- Python and documented dependencies; sample-matched assay blocks and a numeric modeled response.
- Feature m/z and retention-time metadata for structural-link searches.
Considerations
- Built-in ROI-based annotation is supported only for the documented National Phenome Centre assays.
- Use appropriate cross-validation and avoid information leakage; structural links and predictive associations are not confirmed identities or causal relationships.
Access and documentation
License verified in the official repository. Code licensing does not establish the terms for every separately downloaded model or dataset.
License: BSD-3-Clause
Evidence and review
Enveda intake candidate checked against official documentation, license information and primary publication on 2026-10-21. Editorial review only; no execution or independent benchmark.
Core publications
Resource papers, direct updates and tool-specific methods. Selection policy.
- MAMSI: Integration of Multiassay Liquid Chromatography–Mass Spectrometry Metabolomics Data Using Multiview Machine Learning. Analytical Chemistry (2025). doi:10.1021/acs.analchem.5c01327
Related tools
Entry history
Changes to this catalogue entry, not the tool's software release history. Acceptance and editorial review are separate.
- 2026-10-22 · First committed entry
Add MAMSI and SEISMiQ with explicit applicability limits
View change · Entry at this revision