Principal Component Analysis

Principal Component Analysis (PCA) is a dimension reduction technique useful for visualizing chemical space. Select a dataset and click "Perform PCA" to visualize its chemical space. Chemicals will be colored according to their assigned activity (active, 1: red; inactive, 0: blue). If the Activity values are continuous, a continuous color scale is used.

Please upload a dataset using the "Upload or Retrieve Dataset" to perform principal component analysis.