CAS Events at AI in Drug Discovery

CAS events at Ai in Drug Discovery banner image

Exploring Innovations in Machine Learning for Discovery Pipelines

Thank you to those who attended this virtual event. 

Looking to optimize your drug discovery and product pipelines? We can help, contact us to learn more.


 

Featured CAS Presentation

Discover New Chemistry with more Efficient Exploration of Chemical Space

Recorded March 16, 2021

 

 


Highlights:

  • Anticipate common challenges and adjust approaches to data for improved prediction outcomes
  • The impact of high-quality training data on the predictive power of machine learning models in synthesis planning is demonstrated by enriching a large training set with reactions targeting specific reaction types (case study)
  • How better molecular descriptors improved algorithm performance on predicting biological activity across multiple algorithmic approaches (case study)

Dr. Yugal Sharma

photo of Yugal Sharma, Senior Director, CAS
Senior Director, CAS

 

Bayer logo

Predicting New Chemistry: Impact of High-Quality Training Data on Prediction of Reaction Outcomes

Read how scientists at Bayer expanded their understanding into new, useful chemistry by improving the predictive power of a synthesis planning model with scientist-curated reactions from CAS.

Contact Our Services Team

Your privacy is important to CAS. More detail about how we use your information is in our privacy policy.