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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
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:
Instant JChem
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:
JChem for Excel
No Electron Left Behind: A Rule-Based Expert System To Predict Chemical Reactions and Reaction Mechanisms Publication
Predicting the course and major products of arbitrary reactions is a fundamental problem in chemistry, one that chemists must address in a variety of tasks ranging from synthesis design t…
August 2009
Product:
MarvinView
Instant JChem - more ways to see your data Presentation
Instant JChem 5.4 included many new ways to view and work with data. New form widgets provide ways to generate information rich forms, and to visualise data graphically, and interact with…
May 2011
Product:
Instant JChem
iPHACE: integrative navigation in pharmacological space Publication
Summary: The increasing availability of experimentally determined binding affinities for drugs on multiple protein targets requires the design of specific mining and visualization tools t…
February 2010
Migrating to ChemAxon – the good, the bad & the ugly Presentation
At Evotec we have been migrating from other vendors to ChemAxon for years, this year we are moving several key sites from ISIS and CambridgeSoft Suite to JChem based processes. This talk…
May 2011
Benchmarking ChemAxon’s Name-to-Structure batch tool on patent text Presentation
SureChem is a provider of chemistry patent search products based on a database of 12 million chemical structures extracted from the full text of EP, US and WO patent documents as well as …
May 2011
Product:
Naming
Target-Focused libraries: Rapid selection of potential PDE inhibitors from multi-million compounds’ repositories Presentation
Reference Space was defined by collecting known PDE inhibitors (“seeds”) from available literature and databases, and its property space was determined by applying the Lipinsk…
May 2010
Implementation of ChemAxon in a SOA environment Presentation
This talk will follow-on to the presentation given by Brett Hiemenz at the 2009 US UGM which described the uses of a Service Oriented Architecture (SOA) and the problems faced in a mixed …
May 2010
Excel as a Cheminformatics Interface Presentation
Commercial add‐in programs introduce chemical intelligence into Excel, therefore enable Excel to become a serious development platform candidate for Cheminformatics applications. We wil…
September 2011
Product:
JChem for Excel
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:
JChem for Excel
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:
MarvinSketch
The chemistry Excel add-in game Presentation
Starting with a brief overview of the chemistry Excel Add-Ins available on the market, we will look at the migration challenges from these products. Using two real life case studies, w…
May 2011
Product:
JChem for Excel
Speeding and refining chemical search, analysis and visualization with Instant JChem and Spotfire Webinar
Ben McGraw, Sr. Director, Life Science Industry Solutions, TIBCO Software Inc., and Krisztián Niesz, Application Scientist, ChemAxon Ltd., as they talk about the new integration of Insta…
March 2012
Product:
Instant JChem
The chemistry Excel add‐in game Presentation
Starting with a brief overview of the chemistry Excel Add‐Ins available on the market, we will look at the migration challenges from these products. Using two real life case studies, we…
September 2011
Product:
JChem for Excel
Automated spelling correction to improve recall rates of name-to-structure tools for chemical text mining Presentation
A major usage of name-to-structure software, such as Lexichem (OpenEye), n2s (ChemAxon), OPSIN (Unilever Centre for Molecular Science Informatics) is in text mining and chemical named ent…
May 2011
Product:
Naming
Centralizing data for drug discovery in a multi‐group academic setting with ChemAxon Presentation
The Core Laboratory for Neuromolecular Production at the University of Montana is applying a variety of chemoinformatic approaches to the integration of research across several neuroscien…
September 2011
Agile Text Mining for Knowledge Discovery Presentation
September 2011
CHARMMing: A New, Flexible Web Portal for CHARMM Publication
A new web portal for the CHARMM macromolecular modeling package, CHARMMing (CHARMM interface and graphics, http://www.charmming.org), is presented. This tool provides a user-friendly inte…
August 2008
Product:
MarvinSpace
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