Cambridge Cheminformatics Meeting
Advancing Molecular Science: Insights from AI, NMR, and Patent Analysis
12 November, 16:00 (GMT), hybrid meeting.
Don’t miss the upcoming cheminformatics meetings at the CCDC office in Cambridge, or join us online via Zoom. Free and open to all.
This session features three exciting talks:
- Causal Molecular Machine Learning for Property Prediction and Optimization
Christian Natajaya, Neopoly AI
- DP5 without DFT: Uncertainty-Calibrated Graph Neural Net Accelerates Structure Confirmation via NMR
Ruslan Kotlyarov, University of Cambridge
- Deuterogate: The Unintended Consequences of Virtual Deuteration Enumeration in Patents
Chris Southan, Honorary Professor, University of Edinburgh
The evening will wrap up with a pub night at the Panton Arms and the Global Cheminformatics Network Mixer.