Optibrium provides elegant software solutions for small molecule design, optimisation and data analysis. Our products include ground-breaking artificial intelligence technologies, supporting scientists by guiding decisions and improving efficiency in drug discovery.

Optibrium (www.optibrium.com) is dedicated to providing software to guide decisions involving complex, uncertain data in an intuitive way. Based in Cambridge, UK, Optibrium has a global customer base ranging from top-ten pharmaceutical companies to small biotechs and academic groups. Our mission is to continue to develop new technologies that will optimise project strategy, reduce wasted molecules and experiments, shorten timelines and improve the quality of candidate compounds for our clients. Optibrium’s primary product, StarDrop, is focused on the drug discovery industry, helping guide scientists to make decisions in the design and selection of high quality drug candidates.

Visit our online community at www.optibrium.com/community/ for further discussions on improving the productivity of drug discovery.

Products and services

Proven AI software that reveals transformative insights from your data

Cerella™ uses a unique deep learning approach to overcome limitations in drug discovery data, reducing costs and accelerating drug discovery cycles. It highlights high-quality compounds with confidence, finding hidden opportunities caused by missing, uncertain or inaccurate data and prioritises the most valuable experiments.  

Cerella can:

  • Proactively highlight high-quality compounds by ‘filling in’ sparse data
  • Increase confidence in decision making, identify hidden opportunities, flag outliers and false negatives
  • Help you translate artificial intelligence insights into the planning of experiments to focus on the most valuable measurements
  • Enable you to gain more value from your compound data, accurately predicting complex endpoints, intractable with conventional QSAR modelling
  • Add value at any scale, from individual project datasets to global compound data repositories

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, resulting in reductions in cost and time of discovery cycles. Cerella has proven its benefits in several collaborations with pharma and biotech organisations, working with individual project-level datasets up to global compound data repository level investigations.

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The StarDrop software platform guides compound selection and design decisions to obtain an optimal balance of properties at all stages of drug discovery. Sitting at the heart of the drug discovery process, StarDrop provides an intuitive environment to integrate data from experimental databases or predictive models, to:

  • Make project decisions with confidence
  • Design and select balanced compounds with a high chance of success
  • Focus resources on the most appropriate chemistries
  • Provide project scientists with direct access to in-house models and databases through StarDrop's intuitive, user friendly interface

 StarDrop's core features and suite of optional plug-in modules provide a comprehensive range of features to support design and prioritisation of high quality compounds, including:

  • ADME QSAR models – predict a full range of ADME properties
  • P450 metabolism models – guide your chemistry to resolve metabolic liabilities
  • 'Chemical space' visualisation and compound selection tools – explore the full chemical space of your chemistry
  • ‘Probabilistic’ scoring – estimate each compound's likelihood of success using data on many properties simultaneously
  • Glowing Molecule visualisation - Interactively redesign compounds
  • Auto-Modeller - develop and deploy models of your own data
  • 2D and 3D SAR - use eSim3D module for 3D ligand-based design, or SeeSAR for 3D structure-based design
  • de Novo design - use the Nova, Bioster or Inspyra modules to generate new compound ideas

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