Fig. 1

Heatmap representation of the NCATS malaria dataset. The heatmap, created using the Python visualization package matplotlib [47], is constructed as a matrix; rows and columns map to individual columns of the dataset, and the intersecting elements to their combination. The heatmap used the pGamma metric described in Table 3. Compounds were clustered according to their predicted targets, using predictions from an inhouse target prediction tool, such that compounds with a similar bioactivity profile, such as Artesunate and Artemether, cluster together.