Fig. 6

Heat map view showing a clustering based on ECFP4 fingerprints revealing correlations with several activity scores. On the top of the heat map it shows a dendrogram, which is the result of the clustering based on structural ECFP4 fingerprints. A two dimensional depiction of the molecular structure is attached to each leaf node of the dendrogram. The red horizontal line shows a similarity threshold that separates the dataset into a red and blue cluster of compounds. On the right hand side of the heat map the property names and a dendrogram over their similarity is displayed. A legend for the heat map color mapping is presented on the left hand side of the heat map