Oxford Drug Design


Oxford Drug Design helps pharmaceutical and biotech companies resolve their own drug discovery challenges by harnessing our pioneering AI and Machine Learning platform.

The new paradigm of drug discovery

Innovation requires optimal computational methods to obtain the best clinical candidates faster.

This is not an easy task. Oxford Drug Design can help drug discovery organisations and their leaders make it a reality with our proprietary and pioneering computational platform.

We combine bold AI strategies and transformative ML technologies – validated across multiple targets and chemical scaffold types – to help organisations to innovate more effectively and achieve lasting progress in performance for their drug discovery pipelines.

Why is Oxford Drug Design different?

ODD has integrated this proprietary platform into three key computational drug discovery capabilities for both ligand- and structure-based approaches:

  • Representation. Our EShape™ algorithm accurately captures molecular conformations and properties in rapidly searchable descriptors. Our persistent homology representations provide a unique method for comparing putative drug molecules using virtual screening.
  • Data. CSpace™ is an up-to-date, carefully curated database of ~6m purchasable drug-like molecules. Additional databases are derived for input to virtual and fragment screening applications, and for target identification.
  • Generative Predictive models. SynthAI™ and AIScape™ employ generative and predictive models, with a strong focus on transparent decision making, to identify connections between structural features and drug activity.

Advantages of our integrative approach:

  • Maximum versatility to resolve your drug discovery challenges, target-tailored
  • Shortened timelines to hit- and lead-generation
  • Novel perspectives on your problems with our integrated tools for customised solutions
  • Multi-stage coverage from target- and hit-to-lead identification and optimization throughout all of pre-clinical development
  • Optimal refinement of molecule selection
  • Chemistry-based computational platform specialised in small molecules
  • Successful internal use and validation in our own drug discovery programmes

Our collaborative process

From target identification and lead generation/discovery to pre-clinical candidate selection, we can address challenges throughout the complete drug discovery pipeline.

We start the process with an in-depth understanding of the challenges faced in your discovery pipeline, and carefully analyse how we can resolve them by applying our innovative platform.

We then provide a tailored engagement outline, with milestones and objectives for your consideration. Upon execution, we deliver the results of our optimised computational solutions for your direct implementation.

In addition to purely computational results, we are also able to deliver a complete ‘one-stop’ solution. Physical samples of identified ligands or related molecules can also be produced through the services of our leading chemistry and/or biology partners.

Successful track record and testimonials

Oxford Drug Design has already addressed highly diverse drug discovery challenges for international pharmaceutical and biotech companies covering multiple target types and molecular scaffolds.

Our track record of successful impact for our clients includes:

  • Large multinational pharma: a Chemgenomics study to identify molecular targets from phenotypic screening results using proprietary molecular property descriptors

  • Large biotech: Generation of a large 3D library and virtual screening descriptors from company validated reactions and starting materials for hit identification and hit-to-lead programmes

  • Preclinical drug discovery: Virtual screen identified 3 new hits, completely different chemically from known compounds with scope for optimization and IP generation

  • Generative Approaches: Contrary to standard generative methods, our pioneering deep reinforcement learning on our databases leads only to feasible molecules with desired activity profiles.

To discuss how our technology platform can accelerate your own discovery success please contact us. 

Oxford Drug Design Ltd
Oxford Centre for Innovation
New Road
Oxford OX1 1BY, UK

+44 (0)1865 261468

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