Active learning to highlight new opportunities and guide more efficient compound optimisation
AI-Guided Drug Discovery
Use deep learning imputation to:
Gain more value from your compound data
- Capturing complex relationships between structures, activities and other properties on a scale that cannot be achieved using conventional tools
- Supporting chemical space exploration beyond conventional QSAR models
Increase confidence in decision making and lead optimisation
- Using accurate uncertainty estimates to prioritise compounds with the highest chance of success
- Avoiding missed opportunities due to missing, uncertain or inaccurate data
Reduce costs and accelerate discovery cycles
- Targeting the best compounds and reducing synthesis cycles
- Focusing your experimental resources on the most valuable measurements
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 global pharma databases. Data in the cloud are anonymised and fully encrypted in transit and at rest, and a multi-level security model controls access.
Automatically updates deep learning models using the latest data, accessed through a direct connection with your data sources
Fills in a ‘massive matrix’ of experimental and imputed data, scaling to address the ‘big data’ challenge to search billions of data points and access results quickly
Provides seamless access to the results and models in Optibrium’s StarDrop software or any platform via a RESTful interface
The most sensitive data, such as compound structures and data, never leave your private network
Augmented Chemistry™ software and services from Optibrium bring ground-breaking artificial intelligence technologies that continuously learn from all available data to supplement your experience and skills. Augmented Chemistry™ software proactively highlights interesting patterns and valuable conclusions by analysing all information, enabling you to achieve your goals and make more effective decisions.
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