Drug metabolomics coverage
How many of the drugs in an external drug-metabolomics dataset does the WBM cover? Limited to true parent drugs — drug metabolites, endogenous metabolites, natural products and CAS annotations are excluded on both sides — the Dorrestein ADRC plasma & fecal annotation contributes 266 parent drugs. Coverage is counted by the catalogue's Merged flag (= reconstructed into the whole-body models), which is authoritative — more reliable than matching drug names to metabolite names, which misses active-form and enantiomer entries (e.g. atorvastatin → atvacid, ibuprofen → ibup_R).
Research & education coverage report over a public knowledge base — not clinical, diagnostic, or individual guidance. Point-in-time snapshot (analysis 2026-07-15).
This page covers parent drugs. For the drug derivatives (metabolites) the WBM models vs those Dorrestein reported — supported, additional in the WBM, or missing — see the companion page.Drug derivative coverage →How many of the dataset's parent drugs are reconstructed
Of the 266 parent drugs, how many are Merged (reconstructed into the whole-body models).
209 of the 266 parent drugs are reconstructed (Merged) in the WBM; the remaining 57 are catalogued but not yet reconstructed (209 + 57 = 266).
The WBM covers far more drugs than this dataset
Coverage runs both ways. The whole-body models have reconstructed 1048 parent drugs (Merged, endogenous excluded). This cohort included 209 of them — the same 209 as the “reconstructed in WBM” tile above — so the WBM already covers 839 parent drugs that were not seen in the Dorrestein data.
209 + 839 = 1048. Both sides count true parent drugs by the Merged (reconstructed) flag — drug metabolites, endogenous metabolites, natural products and CAS annotations excluded (27 endogenous entries removed from the WBM side) — so “209 detected” equals the “reconstructed in WBM” tile. Beyond-dataset drug list exported alongside this analysis.
Drug catalogue follow-ups
Separate from the coverage above — from the assembled catalogue used to map names, two groups are actionable.
In the catalogue but work_status ≠ Merged (merged = reconstructed into the models).
Drug-like compounds with no catalogue entry and no metabolite representation.
Metabolite coverage — all 389 detected compounds
Every detected compound (drugs, drug metabolites, endogenous, natural products) placed by whether its VMH metabolite sits in a WBM biofluid, elsewhere in VMH, or is not in VMH. The donut, class breakdown and table below are this same classification.
Coverage by status
389 unique parent compounds · in-VMH = biofluid + VMH-only = 282
Breakdown by compound class
how each class of detected compound is represented
The status counts metabolite representation: each compound is resolved to its VMH metabolite and placed as in a WBM biofluid (bc/csf/fe/u, models 3/4/187/188), in VMH but not a biofluid, microbial-only (carried by the AGORA2/APOLLO gut-microbe reconstructions, not the host model), or not in VMH. This is independent of the drug catalogue — the Cataloguecolumn shows the separate Merged/not-yet flag. Compound class (endogenous, drug metabolite, natural product, CAS) is shown in its own column.