Searching large numbers of molecules to find the small fraction with biological activity is a challenging problem. Want to search millions of molecules in fractions of a minute using 3D similarity?
OpenEye offers a custom coding service to help customers develop and deploy solutions specific to their problems and their workflows. Want to see if our custom coding service could help your endeavor?
OpenEye offers an extensive set of cutting-edge cheminformatics toolkits across a wide range of platforms and languages. Want to integrate your disparate chemical information and turn it into focused knowledge?
AFITT is the only software available to offer a fully automatic ligand fitting process that optimizes ligand fit to density while minimizing conformational strain. Want to obtain significantly better ligand conformations within refined structures?
OpenEye offers 3 types of databases: pre-computed OMEGA libraries (eMolecules & Namiki), the Iridium Database and pKa Data. Want to see how these data can enhance your results?
Jupyter Notebooks provide a useful context for examples using OpenEye Toolkits. Want to see how to use the toolkits, find examples of integrating OpenEye with other scientific packages, or download sample solutions of common problems in computational chemistry?
A properly prepared database is the first step towards a successful virtual screening campaign. Want to find out how to remove undesirable compounds, handle tautomers and charges, and generate conformers once for rapid downstream applications?