Author: Szabolcs Csepregi

markush

Markush structures at ChemAxon

Sep 16, 2009 - Presentation
Markush structure handling at ChemAxon range of products will be presented, including drawing, visualization and generation of Markush structures, Markush enumeration techniques and searc…
yearofjchem

Twenty ten, a year of JChem

Sep 14, 2010 - Presentation
The back-end (chemical engine) products of ChemAxon will be introduced with special focus on latest developments. JChem Base is a chemical database management toolkit to handle molecules,…
markush

Markush project: Introducing Markush DARC support

Sep 15, 2010 - Presentation
The ChemAxon Markush project includes drawing, visualization and generation of Markush structures, Markush enumeration techniques and searching. The generic notation includes R-groups, at…
lib

Maximum Common Substructure Based Hierarchical Clustering

Jun 5, 2008 - Poster
Clustering chemical structures is a widely used method in various phases of the drug discovery process. Possible applications range from clustering virtual hit sets consisting of 1000’s…
jklustor

Maximum Common Substructure Based Hierarchical Clustering

Sep 14, 2006 - Poster
Clustering chemical structures is a widely used method in various phases of the drug discovery process. Possible applications range from clustering virtual hit sets consisting of 1000’s…
csepregi

JChem as a platform

Sep 25, 2012 - Presentation
The JChem family of products have proven their usefulness, flexibility and quality over the years. They provide a stable chemistry base for many applications and services created by custo…
forma1

The year of chemistry with JChem - formula search, unique structures, Markush, speed ups and more

Sep 27, 2011 - 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 …
tautomer

Methods for robust and efficient tautomer enumeration, tautomer searching and  tautomer duplicate filtering

Sep 15, 2010 - 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…

Latest Developments in Markush Representation, Search, Analysis and Visualization

Mar 14, 2012 - 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…
standard

Standardizer - Molecular Cosmetics for Chemoinformatics

Jun 14, 2007 - 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…
virtualsynthesis

Virtual synthesis with “smart” reactions

Nov 15, 2003 - Poster
Modeling chemical structures is a scientifically well grounded area, proving it’s self in theory as well as in practice. However, there are many traps on the road to virtual reaction pr…
szabolcs

What's new in JChem back-end

Sep 15, 2009 - Presentation
JChem Base is a chemical database management toolkit to handle molecules, chemical reactions and Markush structures and associated data stored in relational databases. JChem Cartridge pro…
markush

Representation, searching and enumeration of Markush structures - from molecules towards patents

Jun 5, 2008 - Poster
Cheminformatics systems usually focus primarily on handling specific molecules and reactions. However, Markush structures are also indispensable in various areas, like combinatorial libra…
noordwijkerhout

Handling of homology variation in structure representation, patent Markush search, enumeration and visualization

Jun 7, 2011 - Poster
Scientific poster on the International Conference on Chemical Structures in Noordwijkerhout: Cheminformatics systems usually focus on handling specific molecules and reactions. However, g…
tautomer

Methods for robust and efficient tautomer enumeration, tautomer searching and  tautomer duplicate filtering

May 19, 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…
markushh

Representation, searching & enumeration of Markush structures - from molecules towards patents - 2009 update

Aug 31, 2009 - Poster
Cheminformatics systems usually focus primarily on handling specific molecules and reactions. However, Markush structures are also indispensable in various areas, like combinatorial libra…
markushposter

Representation, searching and enumeration of Markush structures-from molecules towards patents

Aug 8, 2008 - Poster
Cheminformatics systems usually focus primarily on handling specific molecules and reactions. However, generic (Markush) structures are also indispensable in various areas, such as combin…
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