Drug discovery, redefined by computation.
Axia Discovery combines physics-based molecular simulation, generative AI, and multi-omics data to identify and validate novel drug candidates — faster, and with greater precision than conventional approaches.
End-to-end computational drug discovery
From target to candidate, our integrated platform compresses timelines while elevating the quality of every decision.
Target Identification
Genomics · ProteomicsMulti-omics integration and network biology to uncover disease-relevant targets with high therapeutic confidence.
Structure-Based Design
Physics-Based · SelectivityDesigns and scores novel peptide candidates against validated targets with physics-based simulation — prioritizing binding and selectivity through a proprietary scoring edge, not brute-force library screening.
Generative Chemistry
GenAI · De Novo DesignGraph neural networks and diffusion models generate novel scaffolds optimized for selectivity, potency, and synthetic accessibility.
Molecular Dynamics
GROMACS · OpenMMGPU-accelerated MD simulations reveal binding mechanisms and conformational dynamics invisible to static docking.
ADMET Prediction
PK/PD · SafetyDeep learning ADMET models trained on large-scale experimental data predict pharmacokinetic liabilities early in the campaign.
Lead Optimization
Active Learning · FEPBayesian optimization loops integrate experimental feedback in real time, guiding medicinal chemistry toward the ideal candidate.
Eight patent-pending programs
De novo-designed cyclic peptides across CNS, oncology, cardiometabolic, and renal indications. Nine U.S. provisional patent applications filed 2026.
All programs preclinical · Patent pending · PCT international filings anticipated · Pipeline subject to change
Rigorous methodology, measurable outcomes
Our platform combines state-of-the-art computational methods with validated workflows to deliver reliable predictions.
Ready to accelerate your drug discovery program?
Whether you're seeking a computational co-development partner, licensing opportunities, or looking to advance a difficult target — let's talk.