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chemicalize.org Publication
February 2012
Deploying Instant JChem on an Enterprise Scale Presentation
GSK are in the process of migrating from its legacy forms‐based SAR software to Instant JChem. Ultimately the goal is to see a multi‐tiered architectural solution, though Instant JChe…
September 2011
Product group:
Desktop applications
Cheminformatics in SharePoint Presentation
SharePoint is well established as a document management tool in all kinds of industries. This talk will discuss the potential for SharePoint to be a platform for scientists by adding che…
May 2011
Product group:
IT platform toolkit
Utilizing Marvin in rich internet applications using Microsoft Silverlight Presentation
Microsoft Silverlight is a rather new Web technology that allows to build LOB (Line of business) applications that combine the convenience of a Web Userinterface with the characteristics…
May 2011
Tools for Analyzing Exemplified and Markush Structures in Chemical Patents Presentation
Medicinal chemists rely on patent intelligence at three distinct junctures of a research project: inception of an idea, ongoing competitive intelligence during project development, and pr…
September 2011
Product group:
Markush IP
Efficient simultaneous matching of multiple SMARTS using the ChemAxon toolkits Presentation
The use of SMARTS patterns for pattern matching has become ubiquitous in cheminformatics, and efficient implementations exist for identifying one or more instances of a user-defined subst…
September 2011
Product group:
IT platform toolkit
A Novel Approach to Pharmaceutical Registration ‐ Registration as a Service Presentation
GSK has, over the last several year, taken an aggressive look at cost control in the IT area. Many IT systems and processes have been revamped in an effort to reduce cost. One of those ef…
September 2011
Product group:
IT platform toolkit
Naming Technology, Document Extractor, Structure Checker, KNIME, chemicalize.org Webinar
In this session, we would like to briefly show how ChemAxon products can help analyze structures from documents to expedite the drug discovery process. We are going to demonstrate
How to…
March 2012
Product group:
Naming
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research Publication
With the recent advent of high-throughput technologies for both compound synthesis and biological screening, there
is no shortage of publicly or commercially available data
sets and datab…
June 2010
Enterprise Deployment of JChem for Excel (JC4XL) Presentation
Life scientists have found Microsoft Excel to be an invaluable tool in managing and visualizing research data. ChemAxon’s JChem for Excel (JC4XL) enhances Excel’s capabilities by incl…
September 2011
Product group:
Desktop applications
Future-proofing Cheminformatics Platforms Publication
Changing organizations, shrinking budgets and concerns about costly and inflexible legacy software are prompting organizations to review their cheminformatics requirements for new product…
April 2012
Product group:
IT platform toolkit
Latest Developments in Markush Representation, Search, Analysis and Visualization Poster
Scientific poster at the International Patent Information Conference and Exposition (IPI-ConfEx) Markush structures are widely used in patent claims to maximize intellectual property pro…
March 2012
Product group:
Markush IP
Development and Deployment of Reagent Logistics Solution Using JChem Base/Cartridge Presentation
Reagent logistics is a key process to enable drug discovery research. The information systems that facilitate this process allow scientists to identify, procure and track reagent samples.…
September 2011
Product group:
IT platform toolkit
Perspiration, Inspiration, and Happenstance in Scientific Discoveries Presentation
This presentation will include the mostly unwritten stories of how and why QSAR, SMILES, CLOGP, DISCO pharmacophore detection, 3D searching, and CONCORD were discovered. Hint: these inve…
May 2011
Product group:
Discovery toolkit
Reaction scheme: Capture, Iterator, and Parser Presentation
Reaction scheme is a common form to illustrate synthesis planning and execution. It will be ideal to capture the information as it is. Yet, a system should be able to iterate the compound…
September 2011
Product group:
Discovery toolkit
A Searchable Map of PubChem Publication
The database PubChem was classified using 42 integer value descriptors of molecular structure, here called molecular quantum numbers (MQNs), which count atoms and bond types, polar groups…
October 2010
Product group:
IT platform toolkit
SAR analysis in Excel using Helium and JChem Presentation
GSK Has developed a user tool for SAR analysis based on JChem for EXCEL integrated with our SOA architecture based on ChemAxon technology. The tool provides a seamless interface that allo…
May 2011
Product group:
Desktop applications
Marvin 5.4 – A new generation of structure indexing at Elsevier Presentation
Reaxys is a workflow solution which combines reaction and substance search in organic, organometallic and inorganic chemistry. In order to provide the broad variety of compound data for t…
May 2011
Product group:
Desktop applications
SAR Analyzer - intuitive access to SAR information Presentation
In an endeavor to create an interactive SAR analysis platform at Roche, we aim at providing a portfolio of data analysis techniques that facilitate the navigation of complex data landscap…
May 2011
Product group:
Discovery toolkit
7 Years of ChemAxon at Evotec – choices and possibilities Presentation
“In this presentation, I will discuss some of the history of cheminformatics at Evotec, why we chose ChemAxon as our primary supplier of chemistry tools and why we are still happy w…
May 2011
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