MAGNET Discovery Engine

Built for the New Era of Drugs

MAGNET Discovery Engine

Built for the New Era of Drugs

MAGNET Discovery Engine accelerates small molecule drug discovery by uniting patented high-throughput structural biology with AI-powered design. This integration of vertically scaling proprietary “labware” with horizontal scaling of AI-driven design tools offers the industry to systematically uncover, validate, and optimize ligands with a speed and confidence that was previously out of reach.

With a track record of over 60 structurally-enabled drug targets, the MAGNET has been applied successfully across: target-to-hit discovery, hit-to-lead development, lead optimization.

Industrialized High-Quality Data Generation

The MAGNET Discovery Engine accelerates direct structural insight. We generate high-resolution 3D data of proteins and ligands at industrial scale and high-quality, showing exactly where and how molecules bind.

SmartSoak®: high-performance crystallographic fragment screening leads to soaking systems for protein–fragment complexes up to 10× faster than conventional methods.
SmartSpin®: an exclusive ultra-fast NMR screening technology that uses light-induced hyperpolarization to detect fragment binding in seconds instead of hours, with a throughput up to 50–100× higher than traditional NMR.

Structural biology and protein sciences: enabling rapid access to high-quality protein material for reproducible experiments

Our technology and experience cover a broad spectrum of mechanisms of action:

Covalent inhibitors
Non-covalent inhibitors
Activators
PROTACs
Molecular glue degraders
Macrocycles & peptides

AI that is Rooted in Reality

FragAI is a proprietary generative AI engine built for molecular design. Unlike black-box models that rely on public datasets, FragAI is trained directly on MAGNET’s experimental structures and binding data. It is 3D-aware, generating novel molecules that fit precisely into the protein pockets revealed by structural data.

FragAI operates in a closed loop:

Make: AI proposes new compounds.
Test: Molecules are synthesized and validated in high assays and crystallography.
Learn: Results feed back into FragAI, sharpening predictions with every cycle.

This cycle drives rapid convergence from fragments or hits to optimized leads, with each round producing higher-quality, more drug-like candidates.

Built to unlock the undruggable

Drug targets once dismissed as too hard are now within reach. The MAGNET discovery engine routinely identifies:

Novel binding site,
Rapidly progressible chemotypes,
Geometrically critical interactions, essential for next-generation modalities such as molecular glues and PROTACs.

This capability has already produced structural breakthroughs across over 60 campaigns, giving partners new entry points for drugging biology and building a foundation for next-generation modalities such as molecular glues and PROTACs.