Overview
Drug Readout combines FBMN library annotations with drug metadata to summarize candidate drug-related signals across samples. It supports inspection of parent-drug and analogue matches and their pharmacological context.
What can this tool do?
Common uses
- Inspect possible drug-related signals in untargeted datasets.
- Compare class summaries with or without analogue matches.
Scientific fit
Primary function
Visualization and reporting
Data compatibility
Inputs
Feature or peak table, Compound list or annotations
Outputs
Compound list or annotations, Human-readable report
Input formats
Completed GNPS2 FBMN task ID; peak-area and blank-filter settings
Output formats
Annotation tables, class summaries and downloadable plot data
Scope and considerations
Designed for
- Research interpretation of drug-library matches in LC-MS/MS studies.
Not designed for
- Establishing dose, adherence or exposure source from spectral similarity alone.
Important requirements
- A completed FBMN task with relevant library matches; documentation recommends the GNPS Drug Library.
- A suitable peak-area threshold; blank/control identifiers are optional.
Considerations
- Separate reference matches from propagated analogues and inspect spectral evidence.
- Shared endogenous or food sources can complicate attribution to medication.
- Blank exclusion by column-name substring is not equivalent to validating every feature against procedural blanks.
Access and documentation
Publicly hosted MetaboApp. GNPS2 infrastructure is open to the academic community; its documentation directs industry users to the maintainers or UCR Technology Transfer. Hosted access does not establish a software or reference-data license.
Evidence and review
Reviewed against the linked official app documentation on 2026-09-10. No standalone publication for this particular app was verified; the documentation citation identifies the reviewed implementation. Underlying method and application papers are not presented as dedicated app papers. No analysis job or independent benchmark was run; no developer verification is claimed.
No dedicated scholarly publication is listed. Follow the official documentation and resource-specific citation guidance.
Software and documentation citations
- GNPS2 Documentation. GNPS2 Drug Readout. Accessed 10 September 2026. Documentation
Related tools
Entry history
Changes to this catalogue entry, not the tool's software release history. Acceptance and editorial review are separate.
- 2026-09-10 · First committed entry
Add drug food and microbial-context readout Tools
View change · Entry at this revision