Proven AI-powered drug discovery

Cerella creates new value from your drug discovery data, revealing hidden insights into the best compounds and most valuable experiments for your project.

It makes confident predictions, accurately filling in missing values, especially for expensive downstream experiments that can’t be predicted by other methods. This enables you to do more, even with sparse, limited data sets.

Drug discovery data is complex

With endless possible chemical space to explore and experiments to perform, how do you choose the best compounds and prioritise your resources?

Add to this the inevitability of errors and uncertainty, and you get your next challenge – how can you trust the data which you do have?

You know how important it is to find high-quality candidate drugs, fast. A streamlined workflow is essential, but complex structure-activity relationships, hidden mechanisms of action and adverse outcome pathways make it tricky to see which compounds to progress and the experiments that can be cut.

Want to gain a competitive advantage?

AI-guided drug discovery: Cerella video screenshot

Transformative insights, revealed

Meet Cerella, our deployable AI which speeds up your projects, guides your decisions, and pinpoints the best compounds for your objectives.

Discover Cerella

Use early-stage data to predict late-stage outcomes, avoiding unnecessary and expensive measurements

Uncover hidden opportunities caused by missing, uncertain or inaccurate data

Create value from all your data, informing future strategies by harnessing existing data from parallel or previous projects

Identify the most valuable measurements which will maximise the return on investment of your experimental efforts

Target high-quality compounds with confidence, using robust uncertainty estimates

By integrating machine learning and AI into our R&D efforts we expect to identify promising compounds and rapidly optimize their properties which will accelerate our pipeline. We aim to revolutionize how we develop sustainable solutions for farmers enhance global food security and trust that Optibrium’s software solutions will get us there.

Dr. Seva Rostovtsev, Executive VP and CTO, FMC

Interested in trying Cerella?

Get in touch to chat with us about how Cerella could improve your discovery workflows

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Proven success in drug discovery

See how Cerella translated in vitro data to in vivo savings for AstraZeneca.

Published in Molecular Pharmaceutics.

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See how Cerella translated in vitro data to in vivo savings for AstraZeneca.

Published in Molecular Pharmaceutics.

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Constellation Pharmaceuticals

Hear how Constellation Pharmaceuticals saved “two months’ worth of 12 chemists’ workloads” by identifying inactive compounds.

Published in the Journal of Chemical Information and Modeling.

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Discover how FMC used Cerella to guide purchasing and screening decisions.

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Hear how Cerella predicted complex in vivo sensory responses, accurately, for International Flavors & Fragrances.

Published in the Journal of Computer-Aided Molecular Design.

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A 76% reduction in the number of assays required. See how Cerella could transform Genentech’s kinase programmes.

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Open Source Malaria

Learn how Cerella was able to find the only compound experimentally proven as active in the OSM competition.

Published in the Journal of Medicinal Chemistry.

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Takeda Pharmaceuticals

Discover how Cerella handled 700,000 compounds and 1,000 experimental endpoints for Takeda Pharmaceuticals.

Published in Applied AI Letters.

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Undisclosed collaborator

See how Cerella helped obtain accurate in vivo PK profiles from limited in vitro ADME data for our collaborator.

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Cerella resources

Ready to transform to AI-guided drug discovery?

Simply complete the form and our team will be happy to chat about how Cerella could improve your discovery workflows.