• Corpus ID: 219179876

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

  title={Regression Enrichment Surfaces: a Simple Analysis Technique for Virtual Drug Screening Models},
  author={Austin R. Clyde and Xiaotian Duan and Rick L. 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. Our method, regression enrichment surfaces (RES), is based on the goal of virtual screening: to detect as many of the top-performing treatments as possible. We outline… 
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