Collaborative and Contract Research

Oxford Drug Design helps pharmaceutical and biotech companies resolve their own drug discovery challenges by harnessing our pioneering AI and machine learning proprietary 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 and Oxford Drug Design can help drug discovery organizations and their leaders make it a reality with our proprietary and pioneering computational platform.

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


Why is Oxford Drug Design different?

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

  • Representation. Our ElectroShape 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.

  • Predictive models. AIScape employs 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 customized 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 own drug discovery programs

Our collaborative process

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

The process begins with an in-depth understanding of the challenges being faced in your discovery pipeline. We carefully analyse how we can resolve them applying our innovative platform.

A design of our engagement outline, milestones and objectives will then be provided for your consideration. Upon execution, we deliver the results of our optimized computational solutions for your 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 though 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, covering multiple target types and molecular scaffolds for pharmaceutical and biotech companies internationally.

Our track record of successful impact on our clients’ drug discovery needs includes:

  • Large multi-national pharma: Chemgenomics study to identify molecular targets from phenotypic screening results using proprietary molecular property descriptors

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

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

(Oxford Drug Design) have helped redesign the company’s drug targeting programme, and suggested new lines of derivatization that has delivered compounds with the properties we wanted. The competence provided and the quality of what they deliver is exceptionalMid-Size biotech CEO


Please contact us for an introductory discussion