Figure 3.

Color maps for the 2D fingerprint (radial 13) QSAR model. (a) Most active molecules. (b) Molecules with less antichlamydial activity. Atoms displaying a favorable contribution to the antichlamydial activity are colored red and unfavorable are colored blue. Color intensity reflects the strength of the effect. Highly active molecules are shown in predominant red color and less active molecules are presented in predominant blue. (Note: stereochemistry is displayed because the molecules are drawn in the 3D form, which is required for Maestro software to display the QSAR color maps. However, stereochemistry is not considered in the generation of the 2D descriptors used to build the model).