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.
Virtual Screening
Docking · ADMETUltra-large library docking against validated targets — screening billions of compounds in days with ML-ranked hit selection.
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 2M+ experimental data points 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.
Computationally-driven discovery programs
All programs are in silico / preclinical stage · Pipeline subject to change as programs advance
Rigorous methodology, measurable outcomes
Our platform combines state-of-the-art computational methods with validated workflows to deliver reliable predictions.
Publications
Science-driven leadership
Axia Discovery was founded on the belief that computation is the most powerful tool in modern drug discovery.
Computational scientist and entrepreneur building next-generation in silico drug discovery platforms. Combining physics-based molecular simulation with machine learning to accelerate the path from target to therapeutic.
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.