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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.
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In a rural village called Nazirah, the robot team "sent PackBot into a suspicious compound, and using the robot's cameras, they were able to sketch a map of the compound that the soldiers could use when they went in," Mr. Frost said.
c Mapping of compound 4k on pharmacophore model.
d Mapping of compound 4o on pharmacophore model.
On the other hand, imaging techniques based on mass spectrometry allow the mapping of compounds present at the surface of a tissue section.
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.
The important role of kinases in cancer biology [ 1] has spurred a considerable effort towards the synthesis of libraries of fully profiled kinase inhibitors, providing a map of the strength of each compound on a large number of its potential targets [ 2- 4].
A plot of the intensity of any one signal produces a map of the relative amount of that compound over the entire imaged surface.
Recently, libraries of kinase inhibitors have been extensively profiled, thus providing a map of the strength of action of each compound on a large number of its targets.
This step is crucial because different virtual screening programs do not use identical chemical feature definitions, which can influence the mapping of a compound.
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