Toxics screening (toxicomics, service)

01Overview and value chain

Markers: [EC: ICH S7A/S7B & OECD Principles of GLP | OECD: Bio-pharmaceuticals & bioinformatics | Regulator: FDA (USA), EMA (EU), NMPA (China)]

Toxics screening (toxicomics) is the contract safety-assessment service that de-risks a drug candidate before it ever reaches a human: a pharma sponsor hands a test article to a CRO, which runs in-silico ADMET prediction, a battery of in-vitro assays (drug-induced-liver-injury, hERG cardiotoxicity, CYP induction, high-content imaging), then GLP in-vivo studies in rodents and non-rodents, and returns the IND-enabling toxicity package the regulator demands. The field is consolidating around a few large GLP CROs — Charles River runs about 15 in-vivo safety sites worldwide, WuXi AppTec’s 2025 revenue grew 15.8% year-on-year (21.4% for continuing operations) on strong CDMO demand into 2026, and Syngene extended its Bristol Myers Squibb research collaboration through to 2035 — while in-silico modelling (Certara’s EMA-qualified Simcyp Simulator Version 25, released for 2026 regulatory submissions) and toxicogenomics (Labcorp/Stemina’s devTOX quickPredict human-iPSC developmental-toxicity assay) move the early tiers onto the computer and into high-content cell models. A full GLP rat study still costs in the hundreds of thousands of USD and runs for months, so the service stacks a cheap in-silico and in-vitro funnel in front of the expensive animal work, each tier gating the next. Toxicomics — omics readouts attached to tox endpoints (transcriptomic, metabolomic signatures of stress) — is the layer that earns this Industry its bioinformatics capability tag, turning a pass/fail animal result into a mechanistic, reproducible molecular signature.

The key directions of toxics screening (toxicomics) are:

1. In-vivo GLP toxicology: rodent and non-rodent IND-enabling safety studies (acute, repeat-dose, reproductive, carcinogenicity) run under OECD GLP principles at large CROs (Charles River, Eurofins, WuXi AppTec, Syngene).
2. In-vitro ADMET and high-content screening: hepatocyte DILI models, hERG channel cardiotoxicity, CYP enzyme induction (now miniaturised to 96-well), and high-content imaging that flag off-target toxicity before animal dosing (Cyprotex/Labcorp).
3. In-silico / model-informed toxicology: EMA-qualified PBPK modelling (Certara Simcyp) and QSAR to predict drug-drug interactions, pharmacokinetics and hepatotoxicity in software, feeding model-informed drug development (MIDD).
4. Toxicogenomics and developmental toxicity: human-iPSC assays (devTOX quickPredict) and metabolomic signatures that read developmental toxicity and stress pathways off a cell panel — the toxicomics core that replaces animal endpoints with molecular signatures.

Sectoral value chain

[Test article & GLP setup] ──> [In-silico ADMET triage] ──> [In-vitro assay panel]
                                          │
                              (gate: kill overt toxicants)
                                          │
                                          ▼
[IND-enabling tox report] <─── [Bioanalysis & DMPK] <─── [In-vivo GLP study]

Value chain levels

Cross-cutting technologies of the sector:

• GLP quality system: OECD Principles of Good Laboratory Practice (and FDA 21 CFR Part 58) govern every animal study — protocol, chain-of-custody, audit trail and a study director accountable for the signed report.
• ICH safety guidelines: ICH S7A/S7B (safety pharmacology, hERG), M3(R2) (nonclinical safety studies needed for human trials) and S5 (reproductive toxicology) fix the assay battery regulators expect.
• 3R and Virtual Control Groups: replacement, reduction and refinement of animal use — Charles River’s peer-reviewed Virtual Control Groups let historical control data stand in for concurrent controls, cutting animal counts without losing statistical power.

02US

The United States hosts the two largest pure-play tox CROs and the in-silico modelling leader, and the FDA sets the IND-enabling toxicity expectations the global industry designs to.

Charles River in-vivo GLP, Certara Simcyp, FDA/ICH guidance

• Charles River Laboratories: the largest preclinical safety CRO, running roughly 15 in-vivo safety sites and publishing peer-reviewed evidence (April 2026) for Virtual Control Groups that reduce animal use in nonclinical toxicology.
• Certara: the biosimulation leader whose EMA-qualified Simcyp Simulator Version 25 (2026) extends PBPK modelling to streamline regulatory submissions and drug-drug-interaction assessment across discovery, DMPK and clinical pharmacology.
• FDA and ICH alignment: the FDA’s IND-enabling framework follows ICH M3(R2) and S7A/S7B, so the US CRO assay battery is the de facto global standard.

03CN

China is the fastest-growing tox CRO market, anchored by a single dominant domestic platform whose 2025 results signal the sector’s 2026 trajectory, under NMPA oversight that has converged on ICH-aligned safety guidelines.

WuXi AppTec DMPK/safety, NMPA-ICH convergence, CDMO pull-through

• WuXi AppTec (603259.SH): the leading Chinese preclinical CRO, reported 2025 revenue up 15.8% year-on-year (21.4% for continuing operations) with strong CDMO demand fueling 2026 growth, offering integrated DMPK and safety assessment to global sponsors.
• NMPA-ICH convergence: since adopting ICH guidelines, China’s NMPA accepts the same nonclinical safety package, letting a Chinese GLP study serve multinational submissions.
• CDMO pull-through: domestic capacity expansion in toxicology and DMPK tracks the broader outsourcing of early-stage drug discovery to Chinese platforms.

04EU

The European Union contributes the original in-vitro ADMET specialist and a large GLP testing network, under EMA oversight that has made PBPK modelling a regulatory-accepted submission route.

Cyprotex in-vitro ADMET, Eurofins GLP network, EMA-qualified PBPK

• Cyprotex (Labcorp): the in-vitro ADMET and high-content-toxicology leader (Macclesfield, UK), now within Labcorp — its devTOX quickPredict human-iPSC developmental-toxicity assay and miniaturised 96-well CYP induction workflows were both presented in 2026, alongside a new in-vitro liver model for drug-induced-liver-injury prediction at the MPS World Summit 2026.
• Eurofins Scientific: the Luxembourg-based testing group runs a BioPharma Product Testing network (Germany, Finland and beyond) delivering GLP toxicology and leachables/extractables assessment (USP <1664.3>) for ophthalmic and parenteral drugs.
• EMA-qualified modelling: EMA qualifies PBPK platforms (Simcyp) so that model-informed DDI and hepatotoxicity prediction now carry weight in European submissions, not just internal triage.

05Leading companies and research institutes

06Tech stack and innovations

The tox-screening service stack funnels a candidate through a cheap in-silico and in-vitro triage before the expensive GLP animal study, each tier killing toxicants the next tier no longer has to test.

1. In-silico ADMET and PBPK modelling:
   • Certara’s Simcyp Simulator Version 25 (EMA-qualified, 2026) predicts drug-drug interactions and pharmacokinetics from physiology and in-vitro data, feeding model-informed drug development (MIDD) and regulatory submissions.
   • QSAR models flag structural toxicity alerts (hERG, mutagenicity) directly from molecular structure, ranking compounds before any wet-lab assay.
2. In-vitro assay panel and high-content imaging:
   • Cyprotex/Labcorp runs hepatocyte drug-induced-liver-injury models, hERG cardiotoxicity assays and CYP enzyme induction (now miniaturised from 24-well to 96-well to cut cost and boost throughput).
   • High-content imaging and the devTOX quickPredict human-iPSC assay read developmental toxicity (the developmental-toxicity threshold via the ornithine/cystine ratio) and stress signatures off a cell panel.
3. GLP in-vivo studies and bioanalysis:
   • Rodent and non-rodent acute, repeat-dose, reproductive and safety-pharmacology studies under OECD GLP, with Charles River’s Virtual Control Groups cutting concurrent-control animal numbers using historical data.
   • LC-MS/MS bioanalysis plus Phoenix WinNonlin pharmacokinetic modelling deliver the toxicokinetics and NOAEL that anchor the signed GLP report.

07Value chains and production pipelines

Industrial pipeline of an IND-enabling tox screening package (OECD GLP / ICH M3(R2) / FDA 21 CFR Part 58)

┌───────────────────────────┐      ┌───────────────────────────┐
│ 1. Test-article receipt & │ ───> │ 2. In-silico ADMET triage │
│    GLP facility setup     │      │    (Simcyp PBPK / QSAR)   │
└───────────────────────────┘      └───────────────────────────┘
                                                  │
                                                  ▼
┌───────────────────────────┐      ┌───────────────────────────┐
│ 4. In-vivo GLP study      │ <─── │ 3. In-vitro assay panel   │
│    (rodent + non-rodent)  │      │    (DILI, hERG, CYP)      │
└───────────────────────────┘      └───────────────────────────┘
              │
              ▼
┌───────────────────────────┐      ┌───────────────────────────┐
│ 5. Bioanalysis & DMPK     │ ───> │ 6. Regulatory tox report  │
│    (LC-MS/MS, WinNonlin)  │      │    (IND-enabling package) │
└───────────────────────────┘      └───────────────────────────┘

Stage 1: Test-article receipt and GLP facility setup

The sponsor’s test article is received under chain-of-custody into a GLP facility, the dose formulation is prepared and its concentration, homogeneity and stability verified, and the study director opens the protocol under the GLP quality system.

Stage 2: In-silico ADMET triage

Certara Simcyp PBPK modelling and QSAR predict the candidate’s drug-drug interactions, pharmacokinetics and hepatotoxicity from its structure and in-vitro data, ranking and deprioritising overt toxicants before any cell is dosed.

Stage 3: In-vitro assay panel

Cyprotex/Labcorp runs the hepatocyte drug-induced-liver-injury model, the hERG cardiotoxicity assay and miniaturised 96-well CYP induction, plus high-content imaging and the devTOX quickPredict human-iPSC developmental-toxicity assay, flagging off-target toxicity cheaply.

Stage 4: In-vivo GLP study

Rodent and non-rodent acute and repeat-dose toxicity studies run under OECD GLP at Charles River, Eurofins, WuXi AppTec or Syngene, with toxicokinetic blood sampling and Charles River’s Virtual Control Groups reducing concurrent-control animal counts using historical data.

Stage 5: Bioanalysis and DMPK

Plasma drug and metabolite concentrations are quantified by LC-MS/MS and modelled in Phoenix WinNonlin to yield the toxicokinetic profile and metabolic pathway — the exposure data that anchors the NOAEL.

Stage 6: Regulatory tox report

All tiers are integrated into a signed IND-enabling toxicity package against ICH M3(R2), S7A/S7B and OECD GLP, with target-organ findings, NOAEL and toxicokinetics ready for FDA, EMA or NMPA submission.