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Translational Preclinical Safety Concordance

Translational concordance auditor. Queries four public pharmacovigilance databases and classifies compounds into tissue trap zones on S³. Properties from PubChem. Quantum-computed properties available via mosaeQ.com/lab.

Preprint: doi:10.5281/zenodo.19219725  ·  Campbell, F.H. (2026)

Tissue Trap Zones on S³

LogP and TPSA are mapped to quaternion coordinates (θ, φ) on S³. On msq, these values are sourced from PubChem. For NEMP quantum-computed values from SMILES alone, use mosaeQ.com/lab. Natural pharmacological zones emerge on the hypersphere, identifying where drugs accumulate before clinical exposure.

Brain Trap
High θ · Low φ
BBB-penetrating compounds. High lipophilicity + low polar surface area enables CNS entry. Sedation, extrapyramidal effects.
e.g., chlorpromazine, haloperidol
Search a compound above to classify
ℹ Learn more
Why it matters: Compounds in the Brain Trap zone cross the blood-brain barrier and accumulate in CNS tissue. This is the primary mechanism behind opioid overdose deaths (respiratory depression), sedation side effects, and neuropsychiatric adverse events. P-glycoprotein (P-gp) status determines whether accumulation is sustained or reversible.

Properties used: LogP > 3.0, TPSA < 90
Kelder et al. (1999) Pharm Res 16:1514–1519
Lysosomal Trap
High θ · Basic pKa
Lysosomotropic accumulation. Ion trapping in acidic organelles drives liver, kidney, and lung concentration far above plasma levels.
e.g., amiodarone, imipramine
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Why it matters: Lipophilic amines (LogP > 1, pKa > 6.5) diffuse into lysosomes where the acidic pH (4–5) protonates them. The charged molecule cannot diffuse back out — it is trapped. This causes organ-level toxicity in lysosome-rich tissues: liver, kidney, lung, spleen. Phospholipidosis is the hallmark adverse event.

Properties used: LogP > 1.0, basic amine nitrogen
Kazmi et al. (2013) Drug Metab Dispos 41:897–905
Gut Trap
High θ · Mid φ
GI mucosa sequestration. Structure-driven over-exposure causing nausea and emesis — the functional blind spot histopathology misses entirely.
e.g., irinotecan, metformin
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Why it matters: Compounds with moderate polarity sequester in GI mucosa, causing local over-exposure that blood-level PK monitoring misses entirely. Histopathology in animal studies often fails to detect this because gut tissue processing destroys the evidence. This is the functional blind spot in preclinical safety.

Properties used: LogP > 3.0, TPSA 70–120
Plasma-Retained
Low θ · High φ
Hydrophilic compounds that remain in circulation. Low tissue penetration, predictable PK, lowest tissue-trap risk.
e.g., methotrexate, fluconazole
Search a compound above to classify
ℹ Learn more
Why it matters: Hydrophilic compounds with high polar surface area stay in circulation. They have predictable pharmacokinetics, low tissue accumulation, and the lowest tissue-trap risk. Adverse events for these compounds are typically dose-dependent toxicity rather than accumulation-driven.

Properties used: LogP < 2.0, TPSA > 100

NEMP Quantum Classification Available

The trap zones above use PubChem properties — precomputed, public, approximate.

mosaeQ.com/lab computes trap zone classification from NEMP quantum properties — deterministic, from SMILES alone, with P-gp efflux prediction, brain/plasma ratio, FAERS concordance, and opioid safety panel.

For novel compounds not in PubChem, quantum classification is the only option.

Run Quantum Classification → mosaeQ.com

The FDA’s openFDA API returns NOT_FOUND for clinically validated drugs never marketed in the United States.

In 2026, msq.mosaeQ.com discovered that the FDA’s openFDA API returns NOT_FOUND for clinically validated drugs that were never marketed in the United States — erasing decades of European clinical evidence from automated safety queries.

The FAERS Product Dictionary is built from Structured Product Labeling for “all marketed US drugs” (Potter et al., Clinical Pharmacology & Therapeutics, 2025; PMC12393772).

Any drug never US-marketed is invisible. We call this the Digital Cliff.

Verify the Digital Cliff

Click to see the FDA API return NOT_FOUND for a clinically validated 1957 drug.

Now try these drugs that DO appear: aspirin ibuprofen metformin risperidone

Integrated Public Safety Databases

FDA FAERS
Post-market adverse events
3,720+ drugs
NTP DrugMatrix
Repeat-dose histopathology
365 drugs
Open TG-GATEs
Toxicogenomics
98 drugs
NLM DailyMed
FDA-approved drug labels
All approved

Listen

Podcast #2 · March 25, 2026
Drug Safety: Why 90% of Drugs Fail and How Quantum Coordinates Change the Map
Ever wonder what happens when a drug gets rejected by the FDA but approved in Europe? Or when a promising molecule fails and nobody can explain why? We built a quantum ontology that maps every drug as a point on a mathematical sphere — and it turns out, the drugs that fail often land in the same neighbourhood. Here's the question we keep getting asked: would you take a pill if a computer said it was safe but it had never been inside a living creature? Our answer is yes — not because we trust computers, but because our system doesn't look for melted wires in rats. It looks for tissue traps. Most drugs that hurt people don't fail because the chemistry was wrong. They fail because the drug got stuck somewhere it shouldn't — the liver, the kidneys, the gut — while the blood levels looked perfectly fine. We map those traps. That's msq.

mosaeQ Platform Ecosystem

mosaeQ.com
Preclinical forecasting engine. ICH M3(R2)-compliant reports from SMILES.
create.mosaeQ.com
Molecular design tools. EcoFate™ environmental fate analysis.
outbreak.mosaeQ.com
Pathogen surveillance. G-quadruplex density mapping.
msq.mosaeQ.com
Quantum ontology. Translational concordance. You are here.
q0q0.mosaeQ.com
Cosmetic and consumer product safety. Pre-market toxicological screening for personal care formulations.

msq: Quantum Safety Ontology v2.0.0

A machine-readable rulebook for quantum-computed drug safety classification

The msq: ontology defines how molecular safety data is structured, classified, and queried across the mosaeQ platform. It receives computed property values from the quantum engine and classifies compounds into safety zones using formal logic. It connects to international regulatory formats used by EMA, FDA, and ECHA.

Molecular Positioning
Every compound gets a mathematically precise 4D safety coordinate
Safety Zones
9 default zones + unlimited custom zones defined by threshold conditions
Mechanism Naming
Zones named by physical mechanism, not tissue appearance
Concordance
Validates predictions against FAERS, DailyMed, DrugMatrix, TG-GATEs
Environmental Fate
Tracks pharmaceutical discharge across 7 environmental compartments
Regulatory Status
EU CosIng, REACH, IFRA, SCCS ban/restriction flags
Large Molecules
Extends to antibodies, spike proteins, gene therapy vectors
Circadian Context
Time-of-day and lunar phase effects on drug metabolism
Virus-Host Evolution
Cx43 targeting and pandemic potential classification
Quantum Engine
OWL Reasoner + Ontology
SPARQL Query

Three-layer separation: the engine computes, the ontology classifies, SPARQL queries.

Access the Ontology

v2.0.0 | April 2026 | OWL 2 DL | 39 classes | 87 properties | 11 SHACL shapes | 18 namespace alignments (ChEBI, MedDRA, NCIT, CDISC/SEND, ENVO, GO, OBI, SNOMED CT)

FAQ

What is concordance?
Concordance means: does the predicted safety profile match real-world patient outcomes? msq queries four public databases. For quantum-computed predictions from molecular structure alone, run the compound on mosaeQ.com/lab. When mosaeQ predicts cardiac risk and FAERS confirms cardiac adverse events — that’s concordance.

🎧 Hear it explained in 5 minutes: ▶ Listen: The Aspirin Test (Podcast)

Exclusive Introductory Beta Access for Health Technology Professionals

Qualifying researchers, regulatory scientists, and pharmaceutical professionals in health technology may apply for complimentary two-month access to the msq quantum ontology. Academic, government, and clinical applicants are prioritised.

Apply for Beta Access

Individual and enterprise subscriptions available at mosaeQ.com for immediate full-platform access.