Access to Customer Support Directories

Sites powered by the Cactvs Toolkit



Online Demos

Processed PubChem Assay Downloads

Structure Fragmentation

Web Structure Depiction Server

Portable 3D structure Web visualization as embedded PDF

Java- and Plugin-free interactive Web Structure Sketcher

Chemical structure algorithm consistency verification service


  Company History

Xemistry was founded in 2001 with the aim of commercializing of the Cactvs Chemoinformatics Toolkit, which was at that time under development at the University of Erlangen-Nuremberg, Germany. The company headquarters are currently located in D-35094 Lahntal, Germany, after relocation from Erlangen in 2005.


Managing director, founder and chief developer is Dr. Wolf-D. Ihlenfeldt. Dr. Ihlenfeldt received his chemistry Ph.D. from the Technical University of Munich. Before working for Xemistry, he was a postdoctoral fellow at the Technical University of Toyohashi, Japan, an assistant professor at the Computer Chemistry Center of the University of Erlangen, Germany, a director of start-up ChemCodes Inc. (later Nuada Pharmaceuticals) in Raleigh, NC, USA, and a core developer of the PubChem public database portal at the NCBI in Washington, DC, USA. Since August 2007, Dr. Ihlenfeldt is working exclusively for Xemistry.

Partners and Customers

Xemistry has active development and marketing agreements with Molecular Networks, IDBS, Optibrium and ChemWatch, among others. These companies are authorized to market software which was developed by us, or incorporates modules developed by us.

Well-known customers of our software for in-house use include Abbott, Arqule, Aventis, Boehringer Ingelheim, Eli Lilly, Glaxo Smith Kline, Intervet, Novartis, Organon, Roche, Schering-Plough, Takeda, and Vertex Pharmaceuticals.

Our software is also used in many government and academic environments, including NCBI (PubChem), LMCh CADD and JST. In order to support the public dissemination of scientific information, we offer special favorable licensing conditions for academic users and public projects.



Update of general scripting language documentation.

Release of academic 3.440 versions of the Cactvs toolkit


Free Academic and Evaluation Downloads of the Cactvs Scripting Toolkit

Xemistry GmbH
Hainholzweg 11
D-61462 Königstein

+49 6174 201455
+49 6174 209665


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