Custom Scientific Method Development Services
OpenEye’s modeling applications are all built using cutting-edge cheminformatics and scientific toolkits.
Toolkits enable the creation of custom scientific methods that solve complex problems. Uniting specific subsets of capabilities can help create robust solutions for use across the discovery process.
Some of our own solutions have been created using this approach. For example, our class-leading shape comparison and scoring tool ROCS® is built on the Shape TK. This approach was also used to develop our lead hopping application EON, which identifies novel compounds by the similarity in shape and electrostatics. EON utilizes a combination of OEChem TK (cheminformatics), Omega TK (conformer sampling), Shape TK (shape scoring) and Zap TK (electrostatic scoring) to achieve this goal.