virtual screening your lab can run itself
From your target to the compounds worth testing
DiscoveraVS helps you select a focused list of molecules for your drug discovery campaigns. The platform helps identify compounds that match your criteria, highlights potential off-target risk, screens the most relevant candidates, and delivers a ranked list for purchase and experimental testing.
the workflow
From compound set to ranked shortlist
Upload a compound set, define the screening criteria, and follow each step as DiscoveraVS filters candidates, assesses potential off-target risk, docks selected compounds, and ranks the final shortlist. Press any stage to see what happens there.
One compound set remains traceable across the workflow. Intermediate files are saved to the project folder, and ranked SDF and CSV outputs are generated at the end.
three ways in, one project
Three screening modes, one connected workflow
Ligand-based virtual screening
Narrow a compound set you provide against physicochemical property ranges and structural alerts such as PAINS and Brenk, with no target structure needed to get started.
Target structure
Dock selected candidates against molecular targets, then inspect predicted poses, contacts and ranking evidence.
Liability panel
Score compounds against off-target models, flag potential risks and carry those annotations into downstream prioritisation.
All three modes operate on the same compound set, so candidates, filters, liability flags, docking results and final rankings remain connected inside one project.
internal case study
From 11.3 billion purchasable compounds to two confirmed actives
We used DiscoveraVS in an internal screening campaign, acquired eight prioritised compounds, and tested them experimentally.
commercially accessible chemical space
selected from the ranked shortlist
validated experimentally at low micromolar potency
This campaign compressed experimental follow-up to a small, testable shortlist while preserving the screening record from initial search to assay selection.
pricing
Three ways to run DiscoveraVS
Choose a hosted plan for browser-based screening. A deployment inside your own infrastructure, for compounds, poses and project files that must stay on-premises, is coming. DiscoveraVS is in private beta with design partners until the public launch in November 2026. Hosted accounts are by invitation until then.
Start a hosted screening project.
Free
Hosted on Discovera servers
- Filtering, off-target assessment, docking and pose ranking
- For evaluation and small exploratory screens
- Up to 1,000 compounds per month
- One active job at a time
For regular screening campaigns.
€250 a month, incl. VAT
Hosted on Discovera servers
- Everything in Lite
- Up to 10,000 compounds per month
- Two active jobs at a time
- Priority execution when the server is busy
- Panel and model updates included
Deploy inside your own infrastructure.
coming soon
On-premises deployment
- Everything in Pro
- Runs inside your own network
- Compounds, poses and project files remain under your control
- Annual licence with seats included
Lite and Pro process compounds on Discovera-operated servers in the EU. Data retention, processing purpose and deletion terms are disclosed before upload.