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The year of chemistry with JChem - formula search, unique structures, Markush, speed ups and more Presentation
This talk will detail the latest and future developments in the JChem server products: JChem Base, Cartridge, Web Services and Markush search. The new molecular formula search types will …
September 2011
JChem for SharePoint - How to use the Calculated Image Webpart Tutorial
Short video describing how to display advanced structure information using the JChem Calculated Image webpart
Welcome to the tenth training video of the JChem for SharePoint Installati…
July 2011
Product group:
IT platform toolkit
chemicalize.org: Automatically adding Chemistry to Web Pages, Predicted Structure Data and Search Presentation
October 2011
Product group:
Desktop applications
Calculator Plugins Presentation
Calculator Plugins are modules of ChemAxon’s Marvin and JChem cheminformatics platforms which calculate chemical properties descriptors from chemical structures.
Key features:
Calculat…
January 2011
Product group:
Discovery toolkit
Methods for robust and efficient tautomer enumeration, tautomer searching and tautomer duplicate filtering Presentation
Tautomerism is an important and difficult problem in cheminformatics, and has gained much attention recently. The presentation will focus on ChemAxon’s approaches and algorithms for…
May 2010
Product group:
Discovery toolkit
Molecules from the Minkowsky Space Poster
In the field of computational chemistry it is usual to have only a partial set of structural information about compounds, like the connectivity or the formula. Individual studies can easi…
June 2003
Product group:
Discovery toolkit
3D structure prediction and conformational analysis Poster
Numerous theoretical method in the field of computational chemistry falls back on the availability of 3D structural information about compounds. Determining molecular structure without hu…
June 2005
Product group:
Discovery toolkit
Pipeline Pilot Integration Presentation
The presentation covers some of the new features and recent improvements of the ‘ChemAxon for Pipeline Pilot’ component collection, as well as our plans for future development.
September 2009
Virtual Screening Using Fingerprints Part I. A Hybrid Approach to Pharmacophore Point Perception Poster
About 90% of drug targets cannot be crystallized. If the 3D structure of the active site is not available, a pharmacophore model is created. Such models are typically based on compounds t…
August 2003
Product group:
Discovery toolkit
ChemAxon SharePoint Technologies Presentation
Microsoft SharePoint Server is becoming the standard portal platform at most major pharmaceutical companies. It lets scientists to easily share and manage research and discovery data. Che…
May 2010
pKa and logP property prediction and training Presentation
This presentation gives an overview about ChemAxon’s pKa and logP predicting technology. On the slides you’ll see the available Graphical User Interfaces for ChemAxon’s Phys…
April 2012
Product group:
Discovery toolkit
Methods for robust and efficient tautomer enumeration, tautomer searching and tautomer duplicate filtering Presentation
Tautomerism is an important and difficult problem in cheminformatics, and has gained much attention recently. [1] The presentation will focus on ChemAxon’s approaches and algorithms…
September 2010
Product group:
Discovery toolkit
A method for calculating the pKa values of small and large molecules Poster
A method was developed for predicting of the aqueous ionization constants (pK ) of organic molecules. The method is a based on empirically calculated physico-chemical parameters that are …
June 2007
Product group:
Discovery toolkit
Prediction of distribution coefficient using microconstants Poster
A new method has been developed for predicting the octanolwater distribution coefficient of organic molecules. The prediction of log based on empirically calculated micro ionization const…
April 2004
Product group:
Discovery toolkit
Pipeline Pilot Integration Presentation
December 2010
Tautomer generation. pKa based dominance conditions for generating the dominant tautomers Poster
May 2008
Product group:
Discovery toolkit
chemicalize.org: Adding chemistry to Web pages and predicted data and links to structures Presentation
March 2011
Product group:
Desktop applications
JChem AnalogMaker: A software for generating targeted novel synthetically feasible lead molecules Poster
JChem AnalogMaker is a program for de novo design and lead optimization. It uses an evolutionary search algorithm to optimize fragment-built molecules against a user customizable goal fun…
April 2004
Product group:
Discovery toolkit
Chemaxon in 3D Presentation
Conventional ChemAxon technologies focus on bare topological features of molecules and ChemAxon have been recognised as a 2-dimensional company that provides cheminformatics tools. Yet, C…
September 2009
Product group:
Discovery toolkit
A Novel Approach to Modeling Molecular Transformations and its Various Applications Poster
With the advent of high throughput screening and combinatorial chemistry computer assisted chemistry plays an important role in selecting and designing new drug candidates. Pharmaceutical…
August 2003
Product group:
Discovery toolkit
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