The autonomous discovery funnel, in the open engine
The engine collapses the discovery process into a single workflow. Eleven stages from target identification to patient stratification, run from one conversation with your AI assistant.
Target Discovery
108K associations
Target Validation
5 evidence streams
Literature & Landscape
14K papers · 2.4K patents
Known Actives
2.4M ChEMBL · IC50/Ki
ADMET Profiling
31 endpoints · NovoExpert
Compliance
8 jurisdictions · inline
Lead Optimization
30+ scaffolds
Molecular Docking
AutoDock-GPU · PLIP
Clinical Outcomes
AUROC 0.756
MD Simulation
GROMACS · MM-GBSA
Patient Stratification
56 pharmacogenes
Target Discovery
108K associations
Target Validation
5 evidence streams
Literature & Landscape
14K papers · 2.4K patents
Known Actives
2.4M ChEMBL · IC50/Ki
ADMET Profiling
31 endpoints · NovoExpert
Compliance
8 jurisdictions · inline
Lead Optimization
30+ scaffolds
Molecular Docking
AutoDock-GPU · PLIP
Clinical Outcomes
AUROC 0.756
MD Simulation
GROMACS · MM-GBSA
Patient Stratification
56 pharmacogenes
The discovery funnel
Each stage has its own page with the science problem, proof, and a one-sentence prompt.
Target Discovery
Identify viable drug targets from 108,000 genomic associations, before committing lab resources.
Target Validation
Stress-test the target across five evidence streams: omics, trials, literature, ChEMBL, competitive landscape.
Literature & Landscape
Search the full research landscape in one query. 14,000 papers and 2,400 patents indexed.
Known Actives
Pull measured IC50/Ki potency from 2.4M ChEMBL bioactive compounds to seed optimization.
ADMET Profiling
Eliminate unsafe candidates early. 31 endpoints via the NovoExpert model family, called against any SMILES.
Compliance
Clear the regulatory path early. 8 jurisdictions screened inline via the hosted FAVES API.
Lead Optimization
Generate optimized candidates automatically. Every variant enriched with ADMET and compliance.
Molecular Docking
Validate binding before you run experiments. AutoDock-GPU with strain-energy validation.
Clinical Outcomes
Predict Phase I clearance probability before committing to IND-enabling studies.
MD Simulation
Confirm stability with production-scale dynamics. GROMACS GPU with hydrogen-mass repartitioning.
Patient Stratification
Identify which populations will respond. 56 pharmacogenes, 135K resistance variants.
Start a discovery pipeline
Eleven stages. One conversation. Install the engine and run your first funnel.