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
Run it yourself, or let us run it
Choose a hosted plan and screen in your browser, or hand us the whole campaign: our computational team runs it, and we test in the wet lab which compounds are active.
Start a hosted screening project.
Free
- 100 credits a month
- Runs of up to 100 compounds
- Filtering, docking and pose ranking
- No card needed
For regular screening campaigns.
€205 a month + VAT
- 5,000 credits a month
- Runs of up to 1,000 compounds
- Two runs at once, with priority
- Filtering, docking and pose ranking
- Off-target panel of 15 safety targets, and substructure search
We deliver the outcome.
Per project
- Screening, off-target and docking done for you
- Structure-guided discovery
- Variant-informed target analysis
- Wet-lab assays: active or not
- Confirmed actives in one report
Pro yearly is €2,050 + VAT, two months free, and academic labs pay €175 a month + VAT. Teaching a class? The Education licence is €29 a student a month + VAT. Sign up free, then move to Pro from your account page.
Lite and Pro process compounds on Discovera-operated servers in the EU. Data retention, processing purpose and deletion terms are disclosed before upload.