A prototype implementation of 2D Pharmacophore Fingerprints in Pipeline Pilot is available to interested users. These components have not been included in a general release, as we want to do more testing and validations to get a better sense of scenarios where these fingerprints can be expected to perform better than our extended connectivity fingerprints (if any!).
This posting includes components to calculate and visualize 2D Pharmacophore Fingerprints, a PowerPoint presentation describing some details of the implementation and an example protocol.
This posting includes components to calculate and visualize 2D Pharmacophore Fingerprints, a PowerPoint presentation describing some details of the implementation and an example protocol.