The RESHAPES Program
Rational Exploration and Scaffold Hopping by Automated Pharmacophore Extraction and Search
RESHAPES is a tool for 3D pharmacophore search.
Based on a series of known active compounds, the program will automatically generate 3 point pharmacophores and perform a conformational sampling of a library to identify new potential active molecules. New scaffolds can easily be discovered.
More details about the RESHAPES program will be available soon.