The platform that transforms drug discovery

Based on fundamental scientific advances, our platform can systematically produce new, high-quality drug candidates for a range of diseases.

Our unique approach combines physics-based molecular modeling, novel optimization algorithms, and computer integration of synthetic and medicinal chemistry knowledge to drive the discovery of new medicines.

Computer-driven drug discovery

At the core of our platform, our proprietary Molecule Creation Engine and Molecular Modeling Engine provide the chemical diversity and predictive power to drive drug discovery. Click below to learn more.

Addressing a key challenge of current drug discovery: Access to novel chemical matter

To develop new medicines that can improve patient care, it is critical to gain access to novel molecules that can serve as starting points for drug development. This is one of the main challenges for the pharmaceutical industry today.

With our Molecule Creation Engine (MCE), we have solved this problem on the computer. The MCE is a computer program that applies chemical synthesis rules to a set of proprietary, drug-like building blocks to assemble vast, diverse collections of molecules for each of our drug programs on the computer. Every virtual molecule generated by the MCE is accompanied by a recipe for synthesis, guaranteeing that drug candidates can be efficiently produced.

Designing new molecules on the computer instead of the lab lets us generate a practically unlimited supply of novel chemical matter, much of which is not tested in conventional drug discovery. One could say we are exploring a vast universe of potential drug candidates.

Typical profile of MCE-created molecules:

  • Novel chemical matter
  • Drug-like
  • Synthesizable

Identifying the best potential drug candidates

From the universe of new molecules generated by the MCE, our Molecular Modeling Engine (MME) identifies those drug candidates that bind best to a specific disease-causing protein.

Combining proprietary advances in physics-based molecular modeling and state-of-the-art optimization algorithms, the MME can accurately predict the binding properties of novel molecules and target proteins. It does so by accounting for thousands of degrees of freedom, molecular rotations and vibrations, and the effect of water in the physiologic environment.

Importantly, the MME does not rely on heuristics, empirical models, or machine learning, all of which would limit the applicability to novel molecules or new protein targets. Instead, our scientists have developed proprietary models based on quantum mechanics and molecular dynamics that represent the underlying physics well enough to drive the drug discovery process.