Conventional ChemAxon technologies focus on bare topological features of molecules and ChemAxon has been recognised as a 2-dimensional company that provides cheminformatics tools. Yet, ChemAxon has been active in the 3D world of molecular modeling for some time. The first break with the 2D tradition was marked by the release of the 3D structure generator that later evolved into a 3D multi-conformation plugin. The next milestone was the release of MarvinSpace, our 3D molecular structure and surface visualiser tool.

The most recent developments include 3D flexible alignment, 3D volume overlay and 3D virtual screening by 3D molecular descriptors.