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LiveDesign as the Platform for Active Learning FEP+
Abstract:
Recent successful collaboration projects looking at Active Learning (AL) FEP+ have relied upon LiveDesign as the central platform to drive the process. In this presentation we will give a brief introduction to LiveDesign and demonstrate how it can be used to: Deploy validated single-edge FEP+ models; Select compounds for AL; Generate Machine Learning (ML) models for on FEP+ results; use ML models to drive AL and analyse convergence.

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Nov 2, 2020 10:00 AM in Pacific Time (US and Canada)

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