CAS at Pistoia Alliance Europe

Powerful Predictions Start with Quality Data

Join CAS at the Pistoia Alliance Annual European Conference

Date: March 11, 2020
Location: Millenium Gloucester Hotel, Harrington Gardens, London

Learn how high-quality, scientific data from CAS can improve prediction accuracy. Let's Talk. 

Featured CAS Events and Presentations

Dr. Yugal Sharma
Senior. Director

Dr. Yugal Sharma, Senior Director, CAS


Describing chemistry to algorithms: Why scientific expertise improves AI accuracy
March 11: 11:30-12:00



Abstract: More and better data is an obvious need, but have you considered how impactful descriptors can be on predictions? Join us to see how better descriptors can improve AI algorithm performance on predicting biological activity across multiple algorithmic approaches with over 150k compounds. This is a sneak preview of an upcoming publication with Dr. Alpha Lee (U. of Cambridge) in the Journal of Chemical Information and Modeling which compares the impact of better descriptors on prediction accuracy.  If your AI initiatives aren’t meeting expectations, learn how better quality descriptors can immediately improve accuracy vs. existing fingerprints.


Impact of Data Quality on Machine Learning Results

See how enhancing the quality of the input data alone, without changing the algorithm, impacts prediction accuracy of an algorithm designed to assess the biological activity of compounds relative to different targets in this quantitative study by CAS data scientists.

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