Regression Enrichment Surfaces: a Simple Analysis Technique for Virtual Drug Screening Models

1 Jun 2020 Austin Clyde Xiaotian Duan Rick Stevens

We present a new method for understanding the performance of a model in virtual drug screening tasks. While most virtual screening problems present as a mix between ranking and classification, the models are typically trained as regression models presenting a problem requiring either a choice of a cutoff or ranking measure... (read more)

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