AI in Drug Discovery

Mar 14 – 15, 2022 · London, UK

About AI in Drug Discovery conference

AI in drug discovery is leading the way into a shorter, cheaper and more successful R&D era where compound generation is automated, drug synthesis is predictable and undruggable diseases are finally being targeted.

The conference collects industry leaders of the pharmaceutical sector to present groundbreaking achievements and share their views on the future directions of big data and machine learning. Visit conference website.

Our Topics


14th March 13:35 | Ákos Tarcsay
Product Manager, Chemaxon

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Converting data to project team insights

Join us to hear about the lessons learned from building machine learning models on a large number of targets. Discuss the challenges from data to actionable predictions and learn more about our solution to integrate models into the drug discovery decision-making process.

Learn more about

  • Building machine learning models for a large number of targets
  • Demonstration of use cases from ADMET predictions: hERG and penetration models
  • Overarching review of challenges from data to actionable predictions
  • Leveraging the power of predictions in integrated design system

Accelerate your research with Machine Learning

Exploit the knowledge of your data with our new Trainer Engine by building reliable machine learning models and leverage the prediction power via the seamless integration capabilities. Watch the Cheminfo Stories fall series to get insights on building a permeability model and using it in Design Hub, or learn more about the impact of chemical normalization on machine learning outcomes.

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