Accelerate research
Sequence analysis, folding, ADMET and druglikeness in one workflow. The agent fires the right tools; you work with the results.
MCP server for drug discovery
Chemistry MCP for drug discovery
and pharma R&D.
The deterministic tool layer for AI agents in drug discovery, ADMET, toxicology, stability and regulatory. Ask your AI agent everything you'd otherwise look up across five different tools. CovaSyn answers right in the chat, you save hours every week.
- 100 free credits per week
- GDPR-ready
- Productive instantly
Independent benchmark
Frontier LLMs reach 14 to 41 percent on chemistry. With CovaSyn MCP: 76 to 92 percent.
Peer-reviewed on MolecularIQ (Klambauer Lab JKU, ICLR 2026). 3,540 verified chemistry tasks across four frontier models. Three reach 85 to 92 percent; the cheapest model (Gemini 3.5 Flash) lands at 76 percent.
85.4 %
Haiku 4.5 + MCP
21.2 % baseline · 4.0× lift
91.5 %
Opus 4.7 + MCP
40.8 % baseline · 2.3× lift
89.9 %
GPT-5.5 + MCP
22.3 % baseline · 4.0× lift
75.7 %
Gemini 3.5 + MCP
13.7 % baseline · 5.5× lift
Bottleneck
55 percent of biotech AI pilots fail on data quality. That's exactly where MCP fits in.
In the Benchling Biotech AI Report 2026, the 100 surveyed AI leaders name "poor data quality" as the top reason pilots don't reach production. Data management is necessary but not sufficient. What's missing is the deterministic layer that turns an LLM output into a reproducible, auditable answer.
- Validated tools, not hallucination. 130 functions, deterministic output, identical on call 1,000 as on call 1.
- Audit trail out of the box. Every tool call is version-pinned and reproducible. ICH-compliant, not "the AI said".
- MCP standard, not wrapper sprawl. Plug-and-play with Claude Desktop, Cursor, VS Code, your own agents. No lock-in.
Application
What you build with it
Stop juggling ChemDraw, Excel, JMP and PubChem. The agent calls the right CovaSyn tools in the background, you work with the results.
Formulation and process
Solubility, stability, Arrhenius kinetics, DoE designs and RSM optimisation. From early candidate to CMC-ready process.
Compliance and safety
ICH M7, Tox21, ADMET screening, structural alerts and regulatory lookup. Catch risks early instead of at QA review.
Automate analytics
NMR, MS, IR and UV/Vis: identification, purity, impurities. The agent interprets the spectra, you iterate on hypotheses.
Onboarding
How it works
01
Create an account
Email, password, done. Free tier instantly active with 100 credits per week.
02
Generate an API key
One click in the dashboard. Drop the key into Claude Desktop, ChatGPT (custom GPT) or Cursor.
03
Talk to your agent
The agent picks the right tool for your question. You speak natural language.
Content
Eight tool families. 130+ functions.
From drug profile to stability plan. Answers you can use right away without further research.
Full tool list01
Covabasic
SMILES, LogP, pKa, functional groups, tautomers.
02
Covachem
ADME, druglikeness, molecule design, pKa prediction.
03
Covatox
ICH M7, Tox21, alerts, ADMET screen, ecotox.
04
Covabio
Antibodies, peptides, mRNA, siRNA, ADCs, immunogenicity.
05
Covafold
Protein folding, binding sites, RNA structure.
06
Covasolve
Solubility, miscibility, pH curves, antisolvent.
07
Covastab
Stability, Arrhenius, shelf life, OOS/OOT.
08
Covadoe + Covaopt
DoE, RSM, power, robustness, PPQ.
Tool missing?
Tool not listed, or could not find a fit?
Tell us briefly what you need. If we have it, we come back with the matching tool. If we do not, we check whether it fits into our MCP, and you hear first.
Email is optional. By entering it you consent to us responding to your wish, the data is used only for that response.
Compatibility
Works where you work
No new workflow to learn. CovaSyn slots straight into your favourite AI client.
- Claude Desktop
- Claude Code
- Cursor
- Windsurf
- Continue
- ChatGPT (Custom GPT)
- GitHub Copilot
- Custom MCP clients
Hosting
Cloud or self-hosted, your call
Same tool portfolio, same MCP server, two deployment paths. Which one fits your IT and compliance setup is something we figure out together when needed.
Standard
Cloud
Productive immediately. Create an account, generate an API key, wire it into your AI client. EU data residency by default (Hetzner Leipzig, GDPR + EU Annex 11, no US CLOUD Act exposure), with US hosting available on request for North-American teams.
- Free tier active instantly
- Pro / Unlimited one click in the dashboard
- Single-tenant setup as part of the Enterprise plan
On your infrastructure
Self-hosted
If your IT security or compliance rules out external hosting: CovaSyn runs as a container on your infrastructure. Which form (Docker, Kubernetes, air-gap) we work out with your IT in a discovery call.
- Container on your hardware, behind your firewall
- No data leaves your company
- Sold via sales call only
Data security
Three layers, and one more with self-hosted
What we guarantee for every CovaSyn customer, and what changes on top with self-hosted.
1
No data storage
CovaSyn does not persist the inputs or outputs of your tool calls. Structures, spectra, datasets, none of it ends up in a database. The only thing we log is an audit trail for billing and compliance, without payload.
All plans
2
No training on your data
CovaSyn tools are deterministic cheminformatics calculations, not third-party LLMs in the data path. Your tool inputs do not feed any training pipeline. Contractually anchored in our DPA per Art. 28 GDPR.
All plans
3
Self-hosted: no data transfer to CovaSyn
If you operate the container yourself, we never see your data at all. The MCP server runs on your infrastructure, your firewall protects it, CovaSyn is not in the data path.
Self-hosted only
FAQ
Short and sharp
- What's the best MCP server for drug discovery?
- Depends on your stack. For pharma R&D with ICH M7, stability, ADMET and audit-trail requirements, CovaSyn is currently the production-ready MCP solution with 130 deterministic tools and DACH hosting. For general cheminformatics, open-source options like ChEMBL-MCP-Server and PubChem-MCP exist too, the detailed market overview is on our blog.
- How does it work in practice?
- Install CovaSyn once in your AI client. From then on, ask questions as usual and CovaSyn delivers the scientific answer right inside the chat.
- Are the answers reliable?
- Yes. Every answer comes with source references and is traceable. You can use the results directly in reports and audits.
- What does it cost?
- Free tier with 100 credits per week covers most research workflows. Plans and top-ups appear in the dashboard once you log in.
- Data privacy?
- GDPR compliant. Your data is never used for training. Audit logs available on request.
- Can I run CovaSyn on my own infrastructure?
- Yes. We ship the MCP server as a container that your IT operates in your data center. We work out the exact deployment form (Docker, Kubernetes, air-gap) with you in a discovery call, no self-serve.
Free to start
Ready to give your agent chemistry sense?
Free tier is active instantly. 100 credits per week, no expiry, no credit card. If the tools help, you upgrade from the dashboard.