CAS at AI-ML Drug Discovery Summit

Powerful Predictions Start with Quality Data

Join CAS at the AI-ML Drug Discovery Summit

Dates: February 24-26, 2020 
Location: DoubleTree by Hilton Hotel, San Diego- Mission Valley 

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

Featured CAS Events and Presentations

Join us at the CAS Booth for Lattes and Cappuccinos!

Grab a latte and learn about CAS data quality

Just like the best coffees start with quality beans, learn how high-quality data from CAS improved the prediction accuracy of ligand biological activity.

Feb. 25th from 10:30 - 1:30

Feb. 26th from 11:00 - 1:30

Dr. Yugal Sharma
Senior. Director

Dr. Yugal Sharma, Senior Director, CAS


Describing chemistry to algorithms:  Why scientific expertise improves AI accuracy
Feb. 26: 12:00-12:30

(followed by Q&A Panel Discussion)

 (download the presentation slides)


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) 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.

Contact Our Services Team

Let’s discuss how to accelerate my outcomes with...

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