Chemical Weapons

Apr 1, 2014 - Publication
One of the most important business management challenges for chemistry departments in the global life sciences industry is dealing with controlled substance compliance. Controlled substan…

Algorithms, Evolution and Network-Based Approaches in Molecular Discovery

May 20, 2015 - Presentation
Drug research generates huge quantities of data around targets, compounds and their effects. Network modelling can be used to describe such relationships with the aim to couple our unders…

Drug Profile Matching - Drug Discovery by Polypharmacology-based Interaction Profiling

May 20, 2015 - Presentation
Most drugs exert their effects via multi-target interactions, as hypothesized by polypharmacology. Here we introduce Drug Profile Matching (DPM) which is able to relate complex drug-prote…
Product group: IT platform toolkit

Single molecule design with others is a hassle? Think again

Nov 11, 2015 - Webinar
Research and development becomes more and more decentralized in all chemistry related fields and so do meetings that are essential for sharing and developing ideas. In the case of single …

Integrated approaches in ChemAxon’s chemical text mining solution

Nov 12, 2015 - Webinar
Have you ever thought of finding chemical information in non-relational data sources, such as patents, journal articles, internal reports? We introduce ChemAxon’s chemical text mining s…

Increase compound collection value and diversity through collaborations, partnerships, and open-innovation

May 20, 2015 - Presentation
Pharmaceutical R&D is facing increasing pressure such as rising operational costs, depleted pipelines and patent expiries. In this environment, it is crucial to improve R&D pro…
Product group: IT platform toolkit

Theoretical insight into the antioxidant properties of melatonin and derivatives

Aug 28, 2014 - Publication
Density functional theory calculations on melatonin, metabolites and synthetic derivatives thereof, and a range of other biological antioxidant molecules are presented, with a view to und…

Consistent Stereochemical search at GlaxoSmithKline

May 19, 2015 - Presentation
GlaxoSmithKline (GSK) has recently upgraded its ChemAxon small molecule registration system to allow end-users the ability to mark-up and register molecules with complex atom based stereo…

Two sides of a migration process

May 20, 2015 - Presentation
Egis Pharmaceuticals PLC, Budapest, Hungary, developed a chemical database for 20 years based on at first MDL’s ChemBase then later ISIS/Base. The database included both chemical an…

Tuning hERG Out: Antitarget QSAR Models for Drug Development

Feb 11, 2014 - Publication
Several non-cardiovascular drugs have been withdrawn from the market due to their inhibition of hERG K+ channels that can potentially lead to severe heart arrhythmia and death. As hERG sa…

What else can you do with the Markush cartridge? Tracking chemical series for project teams

May 19, 2015 - Presentation
We have developed a new application that allows scientist to store and search generic scaffold structures. This was possible thanks to the Markush extension for the ChemAxon JChem Cartrid…

Seamless chemical data management for small biotech

Nov 4, 2015 - Webinar
Designed for SMEs ChemAxon’s MiniReg offers a straightforward solution to create and explore chemical databases containing biochemical assay results. Embedded in our Instant JChem it pr…

Development of web-based Chemistry Design Tools at GlaxoSmithKline

May 20, 2015 - Presentation
At GSK we have a long history of putting design & analysis tools into the hands of medicinal chemists. However, for a variety of reasons, we have found ourselves with a proliferation…

Chemistry-enriched patent curation - automatized chemical and semantic analysis and elaboration of large patent sets

May 20, 2015 - Presentation
Currently, analysis of large patent sets is a tedious and cumbersome work. In order to improve and speed up this process we developed a patent curation-workflow, in which relevant chemica…

Usage of JChem for SharePoint in a global enterprise context

May 20, 2015 - Presentation
The introduction of SharePoint has changed the working environment at Bayer significantly. The exchange of documents, data and information between colleagues has moved from local solution…
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Product group: IT platform toolkit
chemical patent

Chemical Patent Curation and Management - new tools and capabilities

May 20, 2015 - Poster
Understanding the competitors’ patent portfolios and protecting their own IP are key questions for all life science research companies.

Bridging chem- and bioinformatics with Biomolecule Toolkit, a cheminformatics solution for Biologics

Feb 20, 2015 - Poster
ChemAxon’s Biomolecule Toolkit is a webservice-based toolkit for adding chemical intelligence to the handling of complex biomolecules. It provides an unambiguous representation at a seq…
zhengwei peng

The needs and challenges related to in-depth analysis of patent molecular spaces to support drug discovery projects

Sep 26, 2014 - Presentation
In the course of small-molecule drug discovery projects, there are multiple use cases where in-depth analysis
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Product groups: Markush IP, Naming