Optibrium Launches Cerella™, a Novel Artificial Intelligence Platform for Active Learning in Drug Discovery

Oct 20, 2020

Cerella™ is proven to accelerate drug discovery and increase confidence in lead optimisation

CAMBRIDGE, UK, 20 October 2020 – Optibrium™ today announced the launch of Cerella™, an Artificial Intelligence (AI) software platform for drug discovery that delivers active learning using advanced deep learning methods. Cerella™ leverages the unique Alchemite™ algorithm [1], which has been demonstrated to extract additional value from drug discovery data to make more accurate predictions, prioritise experimental efforts and increase confidence in decisions [2,3]. It thereby reduces costs and improves cycle times while targeting high-quality compounds.

Cerella™’s novel architecture combines on-premises deployment with cloud computing, providing both data security and scalability. The most sensitive information is processed on-premises, and the cloud-based components work only with encrypted and anonymised data, enabling scaling from individual project data sets to corporate compound repositories containing millions of compounds.

By connecting directly with a corporate compound database, Cerella™ automatically updates models using the latest data to ensure that the predictions and analyses are always based on the latest information.

Cerella™ is powered by Alchemite™, a deep learning method developed by Optibrium’s technology partner Intellegens Limited. In collaboration with pharmaceutical and biotechnology partners, Optibrium has rigorously demonstrated Alchemite’s unique benefits over conventional modelling methods in peer-reviewed studies [1,2,3], resulting in reductions in cost and time of discovery cycles.

The Cerella™ software is the newest member of Optibrium’s Augmented Chemistry™ platform. This brings sophisticated AI technologies that continuously learn from all available data to supplement expert scientists’ experience and skills.

Matt Segall, Optibrium’s CEO, commented on the launch: “Our Augmented Chemistry™ platform continues to amaze our collaborators with the unprecedented outcomes it delivers. We are proud to reach this new milestone of launching Cerella™, enabling us to put our technologies directly into the hands of our customers.”

For further information on Cerella™, join the launch webinar on 27 October 2020 and register at, visit, or contact

[1] T. Whitehead, B. Irwin, P. S. M. Hunt and G. Conduit, “Imputation of Assay Bioactivity Data Using Deep Learning,” J. Chem. Inf. Model. (2019) 59(3), pp. 1197-1204.

[2] B. Irwin, et al., “Practical Applications of Deep Learning to Impute Heterogeneous Drug Discovery Data,” J. Chem. Inf. Model. (2020) 60(6), pp. 2848-2857.

[3] Irwin et al. “Guiding Drug Optimisation Using Deep Learning Imputation and Compound Generation” International Pharmaceutical Industry (2020) 12(2), pp. 28-31