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About us
The Company
Molecular Networks GmbH (www.molecular-networks.com) provides multifaceted, innovative software to the chemical, biotechnology and pharmaceutical industry. The company's suite of chemoinformatics applications covers many different areas including: handling of chemical information, design of new chemical entities and prediction of physicochemical and biological properties of chemical compounds.

One of Molecular Networks' core strength is in the prediction of chemical reactivity. The company is a leader in the field of computer-aided synthesis design and planning of organic reactions. Currently, Molecular Networks is leveraging its know-how and proprietary technology to expand its business activities in the area of synthesis driven combinatorial library design, prediction of synthetic accessibility of compounds and prediction of enzyme-mediated chemical transformations.

The company offers its products and services to more than 100 companies worldwide. Molecular Networks provides also custom-designed solutions in the field of chemical synthesis, new chemical entities design, data analysis, data mining and data warehousing.

Molecular Networks was founded by Prof. Johann Gasteiger as a spin-off of the Computer-Chemie-Centrum at the University Erlangen-Nuremberg in the year 1997.

Management of the Company
Prof. Johann Gasteiger: Founder and Professor of Chemistry at the University of Erlangen-Nurenberg, Germany

Prof. Gasteiger, founder of Molecular Networks has more than 25 years experiences in the field of Computer-Chemistry and chemoinformatics. Johann (Johnny) Gasteiger studied chemistry at the University of Munich, ETH and the University of Zürich and received his Ph.D. in Organic Chemistry from the University of Munich in 1971. Following a postdoctoral fellowship in Quantum Chemistry at the University of California in Berkeley in 1971-72, Johnny Gasteiger taught at the Technical University of Munich. In 1994 he moved to the University of Erlangen-Nuremberg where he co-founded the "Computer-Chemie-Centrum". His research interests are in the development of software for drug design, simulation of chemical reactions, organic synthesis design, simulation of spectra, and chemical information processing by neural networks and genetic algorithms.

In 1991, Johnny Gasteiger was awarded the Gmelin-Beilstein Medal of the German Chemical Society for Achievements in Computer Chemistry, in 1997 he received the Herman Skolnik Award of the Division of Chemical Information of the American Chemical Society, and in 2005 he was the recipient of the Mike Lynch CSA Trust Award.

 
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Warehousing Structures and Data
Generating 2D Coordinates
Generating 3D Coordinates
Controlling Structural State & Integrity
Enumerating Stereoisomers & Tautomers
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Visualizing Structures
Computing Descriptors
Predicting Properties
Analyzing and Modeling Data
Warehousing Reactions
Designing Synthesis
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