Medstere software

Medstere software shortens lead-seeking optimization cycles by generating hundreds of non-obvious alternatives to a known form of a drug. It assesses the similarity of structurally diverse biosteres using the 3-D surface and electrostatic properties of molecules. The user first inputs the known molecule and selects the area to be changed. The software converts the 3-D (or 2-D) molecule into field points, then replaces the selected section with thousands of alternative fragments, while creating field points for all the new molecules. Finally, the software compares the input molecule with all of the alternatives, taking its similarity of location and size into account to assign a score to each. Its smart chemistry rules ensure practical results that can be readily synthesized. This process allows novel and unexpected structural scaffolds to be generated, which is important because they exhibit similar biological activities and properties while avoiding conflicts with existing intellectual property.