Library
Filter by
product groups,
products:
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
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
Virtual Libraries and Virtual Screening in Drug Discovery Processes using KNIME Presentation
Based around ChemAxon’s discovery tools we will discuss key aspects of virtual high throughput screening methods including management and characterization of virtual libraries, alte…
February 2011
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
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
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
Chemical Terms - Functions for Cheminformatics Poster
Pharmaceutical research is not just about molecules, it is about realizable molecules having certain properties. The available set of computable properties is growing, each function usual…
June 2008
Product group:
Discovery toolkit
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 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
Tautomer generation. pKa based dominance conditions for generating the dominant tautomers Poster
May 2008
Product group:
Discovery toolkit
chemicalize.org: Automatically adding Chemistry to Web Pages, Predicted Structure Data and Search Presentation
October 2011
Product group:
Desktop applications
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
Pipeline Pilot Integration Presentation
The presentation covers the new features and recent improvements of the “ChemAxon for Pipeline Pilot” component collection, as well as our plans for future development.
May 2010
chemicalize.org: Adding chemistry to Web pages and predicted data and links to structures Presentation
March 2011
Product group:
Desktop applications
Drug Discovery Drama Presentation
Four scientists muddy their paws in early phase drug discovery. Bravely our heroes apply ChemAxon’s discovery tools in their challenge. Will they succeed? Will you? All-star toolkit…
May 2010
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
JChem Cartridge: Cheminformatics Platform for Oracle Poster
JChem Cartridge adds chemical knowledge to the Oracle platform. Data can be searched by structure, substructure and similarity criteria through extending Oracle’s native SQL languag…
March 2006
Product group:
IT platform toolkit
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
Prediction of dissociation constant using microconstants Poster
A new method for predicting the aqueous ionization constants (pKa) of organic molecules has been developed in 2004. The method is based mainly on empirically calculated partial charges. H…
April 2004
Product group:
Discovery toolkit
Chemical Terms - Functions for Cheminformatics Poster
Pharmaceutical research is not just about molecules, it is about realizable molecules having certain properties. The available set of computable properties is growing, each function usual…
August 2008
Product group:
Discovery toolkit
| 1 | 2 | 3 | 4 |