Extract more value from your compound data, confidently target high-quality compounds and accelerate discovery cycles
AI-Guided Drug Discovery
Use deep learning imputation to:
- 'Fill in' missing data to proactively highlight high-quality compounds – identify new opportunities with confidence
- Identify experimental outliers – draw attention to experimental errors, unexpected SAR and false negatives
- Target the most valuable measurements to progress the best compounds for expensive, downstream experiments
- Apply virtual screening across multiple endpoints to target the best compounds for synthesis

Proven
Cerella™ uses a unique, peer-reviewed deep learning method, with demonstrated successes in drug discovery.
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.
- 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.
- 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.
- Irwin et al. “Guiding Drug Optimisation Using Deep Learning Imputation and Compound Generation” International Pharmaceutical Industry (2020) 12(2), pp. 28-31.
|
|
Scalable & Secure
Cerella™ offers cloud-enabled deployment, scaling from individual projects to full corporate compound repositories, implementing multi-level security, fully under your control. Data are fully encrypted and anonymised in the cloud.
- Automatically refresh with the latest data through a direct connection with your data sources
- Fill in a ‘massive matrix’ of experimental and imputed data, addressing the challenge of ‘big data’ to make the results easily accessible
- Provide seamless access to the results and models via StarDrop™ or any platform.
- Offer multi-level security, anonymisation and encryption to ensure the confidentiality of your compounds and data
