MolCode, Ltd. is a dynamic company developing unique in silico technologies for the computational prediction of the properties of chemical compounds and materials and for the prediction of the molecular structure of compounds and materials with predetermined properties.
Molcode provides services and contract research on the computational prediction of the properties of chemical compounds and on in silico molecular design including hit identification, hit-to lead development, and lead optimization. Our technologies have been successfully used for the identification of drug candidates against CNS diseases and antivirals.
Molcode Toolboxes are unique software for the prediction of a wide range of experimentally unknown values of properties of compounds including physicochemical, biological, ADME-Tox, ecological pathways/ecotoxicity and adverse drug effects.
Molcode Database holds around 300000 optimized (semi-empirical, ab initio) structures, their respective descriptors and property values.