Selecting bioactive-like conformations of small molecules using atomistic neural networks.

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This is a presentation by Benoit Baillif, CCDC PhD student from the University of Cambridge, at the virtual event "CCDC Science Day 2022". In this presentation he's talking about selecting bioactive-like conformations of small molecules using atomistic neural networks showing the methods he used and the results about ranking and selecting conformations. Learn more about CCDC PhD programme here: https://www.ccdc.cam.ac.uk/researchandconsultancy/ccdcresearch/phd-programme/ Learn more about the Cambridge Structural Database (CSD) here: https://www.ccdc.cam.ac.uk/solutions/csd-core/components/csd/ Follow us on social media: Twitter: @ccdc_cambridge Facebook: Cambridge Crystallographic Data Centre (CCDC) Instagram: @ccdc_cambridge