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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
Command line tools of ChemAxon: tips and tricks Presentation
ChemAxon offers a comprehensive API for programmers accessing all classes and functionalities of the JChem toolkit. Database developers often use SQL statements via the JChem Cartridge fo…
September 2009
Standardizer - Molecular Cosmetics for Chemoinformatics Poster
A chemical compound can appear in various forms and its graphical representation often depends on the taste of the chemist. These variants are usually represented with different graphs in…
June 2007
Methods for robust and efficient tautomer enumeration, tautomer searching and tautomer duplicate filtering presented at the ACS meeting, Boston, 2010 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…
August 2010
The Transformers of ChemAxon Presentation
ChemAxon provides some tools for the transformation of molecules. The overview of these technologies will be followed by the demonstration of Standardizer and Reactor focusing on the new …
May 2008
Standardizer Presentation
January 2008
Product group:
IT platform toolkit
Advanced Structural Search Using ChemAxon Tools Presentation
Molecular search techniques are invaluable tools in all cheminformatics systems including rational drug design, compound registration systems and laboratory information management systems…
March 2005
Using ChemAxon tools in Accamba, a project for modelling screening results based on machine learning methods Poster
The Accamba project (
June 2006
Standardizer Tutorial
September 2010
Standardizer - Molecular Cosmetics for Chemoinformatics Presentation
The Standardizer is a customizable chemical structure conversion tool that was developed by the ChemAxon. This presentation gives a thorough overview about this tool. The introduction of …
June 2006
Standardizer in Instant JChem Tutorial
August 2007
Product group:
IT platform toolkit
The Evolution of the Broad Chemical Biology Informatics Platform Presentation
The Chemical Biology Platform within the Broad Institute screens both the Molecular Libraries Small Molecule Repository (MLSMR) and a unique compound collection synthesized internally thr…
September 2011
Standardizer - Molecular Cosmetics for Chemoinformatics Poster
A chemical compound can appear in various forms and its graphical representation often depends on the taste of the chemist. These variants are usually represented with different graphs in…
July 2006
LeadMarker® - an integrated suite for managing chemical and biological information Presentation
We present LeadMarker(TM), a suite of tools which provide a customizable solution for acquiring and managing information generated as part of the drug discovery process. LeadMarker(TM) co…
May 2005
Migration from ISIS environments Presentation
The presentation focuses on the differences, similarities, pros and contras of migration from an ISIS environment to a related ChemAxon product. It gives a proper overview about the featu…
November 2008
Advanced Structural Search Using ChemAxon Tools Presentation
The molecular search techniques represent an extremely wide range of solutions in all cheminformatics systems. This presentation starts with highlighting some crucial examples of applicat…
November 2004
Introducing the Standardizer GUI Presentation
A chemical compound can be represented in various ways. Therefore the canonicalization of the original structures is usually unavoidable before storing the library in a database or using …
June 2006
Successful Implementation of the ChemAxon Chemistry Cartridge in a Custom Built Screening Management Application: A case Study. Presentation
To facilitate and manage the growth of our high throughput screening activities at Memorial Sloan Kettering Cancer Center, we have developed and deployed a web based application to regist…
August 2008
Alternatives to MDL® Cheshire Presentation
The presentation gives a thorough comparison of MDL’s Cheshire and ChemAxon’s tools. Among the alternatives of the Cheshire the presentation lists three ChemAxon functionaliti…
November 2008
Product group:
IT platform toolkit
Standardizer: canonicalization, conversion and registration. Presentation
Standardizer is a popular component of compound registration systems providing customizable functions for the transformations of mesomers, tautomers, salts and solvents in the molecule fi…
August 2008
Standardizer GUI animation Tutorial
November 2008
Product group:
IT platform toolkit
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