Chemaxon in 3D

presentation · 9 years ago
by Miklós Vargyas (ChemAxon)

Conventional ChemAxon technologies focus on bare topological features of molecules and ChemAxon have been recognised as a 2-dimensional company that provides cheminformatics tools. Yet, ChemAxon have been active in the 3D world of molecular modelling 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. The 3D world of ChemAxon will be presented (in 3D).