Figure 1.

Scaffold structure for compounds with biological inhibitory data for L. donovani axenic amastigotes and L. amazonensis intracellular parasites. The numbered positions on the scaffold identify the locations where compounds differ, and these serve as a guide for explanation of model findings. All training dataset structures and respective inhibitory data can be viewed in Supplemental Table 3 (Appendix). There is an overall plus one charge on these compounds; protonation takes place on the N-C=N groups between the aromatic rings with labeled position 4 and the groups at position 5.