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Cambridge MedChem Consulting

2nd RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry

The lineup for the 2nd RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry Monday-Tuesday, 2nd to 3rd September 2019 Fitzwilliam College, Cambridge, UK has been updated.


Twitter #AIChem19

Artificial Intelligence is presently experiencing a renaissance in development of new methods and practical applications to ongoing challenges in Chemistry. Following the success of the inaugural “Artificial Intelligence in Chemistry” meeting in 2018, we are pleased to announce that the Biological & Medicinal Chemistry Sector (BMCS) and Chemical Information & Computer Applications Group (CICAG) of the Royal Society of Chemistry are once again organising a conference to present the current efforts in applying these new methods. The meeting will be held over two days and will combine aspects of artificial intelligence and deep machine learning methods to applications in chemistry.


Deep learning applied to ligand-based de novo design: a real-life lead optimization case study, Quentin Perron, IKTOS, USA
A Turing test for molecular generators, Jacob Bush, GlaxoSmithKline, UK
Presentation title to be confirmed, Keynote: Regina Barzilay, Massachusetts Institute of Technology, USA
Artificial intelligence for predicting molecular Electrostatic Potentials (ESPs): a step towards developing ESP-guided knowledge-based scoring functions, Prakash Rathi, Astex Pharmaceuticals, UK
Molecular transformer for chemical reaction prediction and uncertainty estimation, Alpha Lee, University of Cambridge, UK
Drug discovery disrupted - quantum physics meets machine learning, Noor Shaker, GTN, UK
Presentation title to be confirmed, Christian Tyrchan, AstraZeneca,
Presentation title to be confirmed, Anthony Nicholls, OpenEye Scientific Software, USA
Deep generative models for 3D compound design from fragment screens, Fergus Imrie, University of Oxford, UK
DeeplyTough: learning to structurally compare protein binding sites, Joshua Meyers, BenevolentAI, UK
Presentation title to be confirmed, Maciej Haranczyk, IMDEA, Spain
Deep learning for drug discovery, Keynote:  David Koes, University of Pittsburgh, USA
Presentation title to be confirmed, Olexandr Isayev, University of North Carolina at Chapel Hill, USA
Dreaming functional molecules with generative ML models, Christoph Kreisbeck, Kebotix, USA
Presentation title to be confirmed, Keynote:  Adrian Roitberg, University of Florida, USA

Applications for poster presentations are welcomed, the closing date for submission is 5th July. A number of RSC-BMCS and RSC-CICAG student bursaries are available up to a value of £250, to support registration, travel and accommodation costs for PhD and post-doctoral applicants studying at European academic institutions. The closing date for bursary applications is 15th July.

Full details are on the conference website