Latest News

2011-09-21: The U.S. Food and Drug Administration (FDA), Center for Food Safety and Applied Nutrition (CFSAN), and Molecular Networks GmbH today announce their scientific collaboration and partnership to jointly develop under a 3-years research collaboration agreement (RCA) the Office of Food Safety's food additives knowledge base CERES using Molecular Networks' chemoinformatics platform MOSES.

2011-08-11: Molecular Networks makes the core set of molecular descriptors of ADRIANA.Code publicly available to the scientific community. This core set, called MOSES.Descriptors, includes the most versatile and widely applicable descriptors in the areas of drug design, ADME and toxicity prediction, for modeling chemical reactivity and to support the use of computational tools in risk assessment of chemicals.

2010-06-28: METIS, a free and convenient tool for the input and storage of information about metabolism and degradation reactions in databases that can be used within the CRAFT hazard and risk assessment workflow, is now available for download.

2009-03-17: THERESA is a new web-based, easy-to-use program system that supports chemists in planning their organic synthesis strategy by providing a novel method to search in reaction databases. THERESA accepts the exact user-defined target compound as input for a stepwise and interactive retro-synthetic analysis and enables the chemist to develop entirely new synthesis routes even if the target is not present in the reaction database. THERESA uses a knowledge base of reaction types that are automatically derived from reaction databases and suggests synthesis routes by applying appropriate reaction types to the target compound. The proposed synthesis precursors are checked for their commercial availability using integrated catalogs of starting materials.

2009-02-11: MN.TAUTOMER, Molecular Networks' fast and automatic tautomer enumerator can now be integrated in SciTegic Pipeline Pilot, Accelrys' data analysis and reporting platform. The integration components can be downloaded free of charge from Molecular Networks' web server. MN.TAUTOMER uses a set of rules to enumerate possible tautomeric states and offers to the user a variety of options to influence the generation and output of tautomers. A 30 days evaluation copy of MN.TAUTOMER for Microsoft Windows 2000/XP/Vista, x86 Linux and UNIX (Sun Solaris and SGI IRIX) can be downloaded free of charge in the Download Area of Molecular Networks' web server.

2008-07-17: Several new features have been implemented in order to improve and extend the functionality, the usability and the range of applications of the descriptor calculation package ADRIANA.Code. ADRIANA.Code can now handle and process charged molecules. Especially, the routines for the calculation of atom charges and electronegativities were newly parametrized for charged molecules. In addition to several new global molecular descriptors, a new category of size- and shape-related descriptors has been introduced. A 30 days evaluation copy of ADRIANA.Code for Microsoft Windows 2000/XP/Vista can be downloaded free of charge in the Download Area of Molecular Networks' web server.

2008-05-09: BioPath.Explore is a web-based retrieval system for searching the biochemical pathways database BioPath. The key features of BioPath are the mass-balanced reaction equations and the manually encoded reaction center information. BioPath.Explore allows text-based searches (e.g. compound names, EC numbers) as well as structure-based searches (e.g. full structure, substructure, and reaction center searches) on about 3,000 reactions and 2,100 molecules. A 30 days evaluation copy of BioPath.Explore for Microsoft Windows 2000/XP/Vista can be downloaded free of charge in the Download Area of Molecular Networks' web server.

2007-12-14: isoCYP provides a powerful and fast method to predict the predominant human cytochrome P450 isoform by which a given chemical compound is metabolized in phase I. The underlying model includes the isoform specificities for cytochrome P450 3A4, 2D6 and 2C9 substrates and has been specifically designed for typically drug-like molecules. A 30 days evaluation copy of isoCYP can be downloaded free of charge in the Download Area of Molecular Networks' web server.

2007-10-05: SYLVIA provides a powerful method to rapidly evaluate the synthetic accessibility of organic compounds and to prioritize thousands of structures according to their synthetic complexity, e.g., those generated by de novo design experiments or stored in large virtual compound libraries. Thus, SYLVIA links the areas of computer-aided molecular design, chemoinformatics and synthetic chemistry. A 30 days evaluation copy of SYLVIA can be downloaded free of charge in the Download Area of Molecular Networks' web server.