Deep learning for drug discovery

From a massive database of biological experiments, our algorithms learn deep models linking raw chemical structure to physiological function and target activity.

The search for new drugs is still extremely slow and costly. Of 5000 leads that have been identified by researchers, only one has the properties required to become a medication.

Modern machine learning enables us to rapidly and confidently screen and characterize high quality compounds before they enter expensive preclinical trials.

Our system consistently outperforms the latest published research, yet we continuously improve our database, training strategy, and neural network architectures to reach for ever better prediction accuracies.

docking example

Enabling molecular dynamics

We are building a complementary technology which leverages deep learning to enable the large-scale deployment of accurate simulations of ligand-protein complexes for drug development.

Because drugs act in the body by chemically binding to specific proteins, this will allow our systems to make predictions of unprecedented reliability to the widest range of targets.

This technology will bridge the gap between the quantum and the physiological scale, enabling nearly unlimited predictions accuracies.

Service & collaborations

We offer services and partnerships for drug development from hit discovery to lead optimization. Our technology gives pharmaceutical and biotechnology companies the opportunity to drastically reduce research time and costs while optimizing therapeutic efficacy. We predict:

  • On-target interactions (hit discovery)
  • Off-target interactions (polypharmacology)
  • Drug metabolism and toxicity (ADMET profiling)
  • Unwanted interactions with other drugs (polypharmacy)

Our system is applicable to any therapeutic area: it demonstrated efficacy notably in virology, bacteriology, parasitology, oncology and cardiology.

We are eager to challenge any in-house or competitor benchmark in order to launch collaborations.

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Investment opportunity

We are seeking investments to expand our virtual screening service and develop our next generation technology.

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Advisory board