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Molecular Networks GmbH (www.mol-net.de)

Molecular Networks GmbH (www.mol-net.de) 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.

Molecular Networks GmbH
2DCOOR coordinates generator for publishing quality 2D depictions

ADRIANAcombination of the two packages

 ADRIANA.Code and SONNIA to provide algorithms for the search, identification and optimization of hits and lead structures

ADRIANA.Code calculation of molecular descriptors encoding physicochemical, topolocical, geometrical and surface properties

BioPath database on biochemical pathways derived from the Roche Applied Science "Biochemical Pathways" wall chart

C@ROL data warehousing for 2D structures, multiple 3D conformations, and experimental information

CHECK structure integrity check and normalization of chemical state

CONVERT inter-conversion of 40 different chemical file formatsCORINA3D structure generation

CORINA_F CORINA interfaced to FlexX docking program

FM3D 3D visualization of molecules

IMAGE conversion of chemical files into images

isoCYP prediction of the predominant isoform of human cytochrome P450 substrates

PAGE conversion of chemical files into formatted documents

ROTATE generation of ensemble of conformations

SONNIA self-organizing neural network package

SPLIT/JOIN &MERGE package for splitting a chemical file including n structuers into n files, joining n structure files to one single file or merging structure and data files into a single file

STERGEN enumeration of stereoisomers




Mol Net SDXD File Loader Symyx