Pharma and Life Science AI/ML Training – Session 7: AI in Computational Medicinal Chemistry

Pharma and Life Science AI/ML Training - Session 7: AI in Computational Medicinal Chemistry

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AI/ML is ubiquitous across the pharma industry, at least as a label. Do all AI/ML activities actually represent artificial intelligence? We will first frame AI and ML separately, and describe why we might want one or the other. With a definition in place, we will highlgiht examples of ML/AI applications across the entire drug discovery & development pipeline and discuss opportunities as well as limitations when appling AI/ML methods to drug discovery problems.
 

Agenda
  • The MedChem task & multimodal discovery
  • Protein structure prediction
  • Druggability assessment
  • Virtual screening
  • Actives assessment & hit expansion (Exploration)
  • Lead Optimisation & ADMET approaches (Exploitation)
  • Generative Design strategies

 

Speakers
  • Rajarshi Guha, Senior Director, Data & Computational Sciences, Vertex
  • Prof. Mike Bodkin, University of Dundee

 

For details of our full Pharma and Life Science AI/ML Training Program and how to register, please click here.