CAS Events at Medicinal Chemistry Summit

Join us at the Medicinal Chemistry Summit in London!

This event is co-located with the 3rd Global Pharma R&D Informatics and AI Congress which also explores machine learning and AI in Drug Discovery. 

Learn how high-quality, scientific data from CAS improved AI prediction accuracy by more than 30% percent.

Discover how you can partner with CAS for more powerful predictions.

Dates: October 28-29, 2019

Location: Heathrow Marriott Hotel, London, England

Booth 13

Featured Events and Presentations


Dr. Alpha Lee

Winton Advanced Fellow, Group Leader and Principal Investigator.
Dept of Physics
University of Cambridge 

Dr Alpha Lee - Dept of Physics, University of Cambridge

Tackling Noise and Uncertainty in Data-Driven Drug Discovery 

12:30 Monday 28 Oct 
Track:  ML and AI in Drug Discovery


Abstract: Most AI approaches make the statistical assumption that data is abundant compared to the complexity of the problem. Empirically, this is often not the case in drug discovery. My group uses rigorous mathematics and physics to develop statistical algorithms that address the challenge of “small and noisy” data. In my talk, I will discuss our recent work on ligand-based bioactivity prediction. Our algorithm outperforms the state-of-the-art, and is prospectively experimentally


Dr. Yugal Sharma
Senior. Director

Dr. Yugal Sharma, Senior Director, CAS


The Critical Role of Data
13:00 Monday 28 Oct 
Track:  Implementing AI into Medicinal Chemistry


Abstract: Are you struggling with less than ideal prediction results for your AI and machine learning algorithms?  Often times, these challenges are driven by low signal to noise ratios – where under sampling and unbalanced ratios result in poor predictions.  The solution?  Better quality data, yet quality data is both time consuming and difficult to find.  Join us to learn how we improved prediction accuracy of ligand biological activity by over 31% percent just by improving the quality of the data.  Discover why human curated data is so valuable, the complexity required for proper data modeling, and the unique insights only highly connected human curated data can provide.

Meet & Greet with Dr. Alpha Lee at the CAS Booth (#13)

Learn how high-quality, scientific data from CAS improved the prediction accuracy of ligand biological activity by more than 31% percent.

Monday, October 28th from 13:30-14:30


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