Author: Szabolcs Csepregi

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…
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…
szabolcs

JChem as a platform

May 22, 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…
dubnium

Standardizer - Molecular Cosmetics for Chemoinformatics

Jul 15, 2006 - 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…
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…
enumeration

Markush project: Introducing Markush DARC support

May 20, 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…
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…
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,…
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…
chemicalterms

Chemical Terms - Functions for Cheminformatics

Jun 5, 2008 - 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…
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…
oracle

JChem Cartridge: Cheminformatics Platform for Oracle

Jun 14, 2007 - 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…
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…
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…
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 …
cartarchitecture

JChem Cartridge: Cheminformatics Platform for Oracle

Mar 16, 2006 - 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…
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…
123