Molecular Networks announces the release of ADRIANA.Code version 2.2
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.Codecan 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 of Molecular Networks' web server.
Molecular Networks announces the release of BioPath.Explore version 1.0
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 of Molecular Networks' web server.
Molecular Networks announces the release of isoCYP version 1.0
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 of Molecular Networks' web server.
Molecular Networks announces the release of SYLVIA version 1.0
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 of Molecular Networks' web server.
Molecular Networks announces the release of MN.TAUTOMER version 1.8
2007-04-25: MN.TAUTOMER, Molecular Networks' fast and automatic enumerator of tautomeric
states of a molecule is now released in version 1.8. A brief summary of all major new
features and improvements is given in the following downloadable PDF document.
New version of the online service BioPath
2006-12-02: Test the new online service of the biochemical pathways database BioPath with a new user-friendly and powerful web interface.
Molecular Networks announces the release of CORINA
version 3.4
2006-08-08: Due to almost 20 years of continuous development, CORINA matured over a series of versions.
With CORINA version 3.4, its unrivaled and outstanding performance and quality could be further
improved. A brief summary of all major new features and improvements is given in the following
downloadable PDF document.
Molecular Networks announces the release of SciTegic
Pipeline Pilot Components of ADRIANA.Code
2006-06-25: Pipeline Pilot components of ADRIANA.Code version 2.0, Molecular Networks'
powerful package for calculating molecular descriptors, are available for
now.
In combination with a separate ADRIANA.Code server installation for Pipeline Pilot (for
MS Windows platforms only), these components allow for a seamless integration and calculation
of the molecular descriptors provided by ADRIANA.Code in SciTegic's Pipeline Pilot
environment.
Molecular Networks announces the release of ADRIANA.Code 2.0
2006-02-20: Version 2.0 represents a major new step in the development of ADRIANA.Code.
Extensive tests and feedback from users in academia and industry led to several new features
and options that have been implemented in order to improve the functionality and the usability
of ADRIANA.Code.
ACS Award for Computers in Chemical & Pharmaceutical Research 2006
2006-01-11: Prof. Dr. Johann Gasteiger, the founder of
Molecular Networks GmbH, is honoured with the ACS
Award for Computers in Chemical & Pharmaceutical
Research (sponsored by Accelrys) by the American
Chemical Society for 2006.
The award will be presented at the Awards
Ceremony on Tuesday, March 28, 2006, in conjunction
with the 231st ACS Meeting in Atlanta, GA, USA.
Molecular Networks announces first versions of Pipeline Pilot Components
2005-09-29: As a member of ScTegic's ISV program, Molecular
Networks is now distributing components that integrate its software technology
into Pipeline Pilot.
2005 Mike Lynch Award for Johann Gasteiger
2005-06-05: Prof. Dr. Johann Gasteiger, the founder of Molecular Networks GmbH,
is honoured with the 2005 CSA Trust Mike Lynch Award. The CSA Trust acknowledges
his outstanding accomplishments in the field of computational chemistry and
structure elucidation. The award was presented at the 7th International Conference
on Chemical Structures in Noordwijkerhout, The Netherlands.
Inte:Ligand and Molecular Networks annouce the integration of CORINA into ILIB DIVERSE
2005-04-26: The two companies are also announcing their intention to share
complementary technology for mutual benefit in the future.
Molecular Networks announces the release of ADRIANA.Code
1.0!
2005-01-10: ADRIANA.Code calculates a series of molecular descriptors
that can be applied in the area of in silico discovery and optimization of new
chemical entities.
Publication on BioPath and C@ROL
2004-12-08: An article about Molecular Networks' database of biochemical
pathways has been published in the journal Org. Biomol. Chem., 2004, 2, 3226-3237.
BioSolveIT GmbH and Molecular Networks GmbH win BMBF funding for EUR
2 Million Project
2004-10-06: BioSolveIT GmbH and Molecular Networks GmbH today announced
that they have been awarded a three year development grant from the BMBF,
through its BioChance+ programme.
New version 3.1 of the 3D Structure
Generator CORINA
2004-05-04: The new release of version 3.1 of CORINA, the
industry benchmark for 3D structure generation purposes,
provides several new options for the processing and manipulation
of chemical structures and includes improvements which made
CORINA faster and more reliable.
ADRIANA 2.0 released
2004-04-21: Encoding and analyzing structure data sets
has never been easier. Adriana combines methods
for coding molecular structures together with a data
mining application.
New Download Area
2004-02-02: Molecular Networks is providing access to an
on-line download area where evaluation copies of its
software applications can be obtained. Registration for an
on-line account can be done .
New Release 5.2 of the Synthesis
Design System WODCA
2003-12-04: WODCA is an integrated system that provides
seamless access to a retrosynthetic analysis engine,
a reaction browser, and a reaction editor to provide
optimal decision support to chemists and anyone involved
in the design of chemical synthesis.
The improved retrosynthetic analysis engine suggests
and scores strategic bonds to be disconnected and it
automatically proposes precursor compounds for the synthesis
target. The derived synthesis tree can be displayed
and saved for later usage. Experimental condition for
each disconnection step can be suggested by searching
for similar reactions in reaction databases like InfoChem's
ChemSynth incorporated into WODCA. An
interface module can be provided on demand to connect
WODCA to proprietary databases. The identification of
starting materials is performed by screening databases
of commercially available compounds.
New version 3.0 of the 3D Structure
Generator CORINA
2003-10-16: Some improvements in the core algorithm
lead to an increase in the conversion rate, an increase
in speed, and an improvement in the quality of the 3D
molecular models.
New Licensing and Pricing Scheme
2003-09-01: Since September 2003, a new customer-oriented and more flexible licensing
and pricing model has been introduced.
- lower upfront prices for annual licenses
- annual license renewal fees available at discounted prices
- new license models depending on the number of concurrent users
- special discount offers for academics
Please contact us at info|at|mol-net.com
to obtain further information on a specific product.
Generation of Conformations: ROTATE
2003-08-29: ROTATE automatically generates conformational
ensembles from a starting 3D structure like the one obtained with CORINA,
including conformers, which come close to biologically active ones.
Conformers are generated by applying a set of rules
which have been derived from a statistical analysis
on the conformational preferences of small molecule
crystal structures.
In addition, several options enable the user to perform
a balanced sampling of the conformational space in order
to obtain a diverse set of conformations. ROTATE is
robust and reliable for processing large datasets.
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