Sentence examples for maps of compound from inspiring English sources

Upper portion marked as a-c displayed steric & electrostatic, acceptor & donor as well as hydrophobic contour maps of compound 32 claimed as most active.

The CoMSIA contour maps of compound 32 and 46 with ligand-based and structure-based approaches are presented in Figures 3 and 4, respectively.

Fig. 2 ESP maps of compounds 3a 3p, calculated at DFT/B3LYP/6-31G d DFT/B3LYP/6-31G d

Further, on comparing the 2-dimensional interaction maps of compounds 18 and 7, it was observed that two residues ILE357 and TYR356 of C chain of DHFR were found common in the binding site which formed hydrophobic interactions.

In contrast, the negative charges on C4 are drastically reduced while slight reductions of negative charges are observed at O3 and O5 atoms, showing calculated electrostatic potential maps of compounds 2e, 3e and 4e in Additional file 1: Figure S3.

c Mapping of compound 4k on pharmacophore model.

d Mapping of compound 4o on pharmacophore model.

All views support a mapping of compound or scaffold properties to visual cues, e.g., color, and the visualizations can be annotated with comments to support collaboration or persistently store findings generated during the workflow.