Author: Péter Kovács

Efficient Heuristics for Maximum Common Substructure Search

Apr 11, 2015 - Publication
Maximum common substructure search is a computationally hard optimization problem with diverse applications in the field of cheminformatics, including similarity search, lead optimization…
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…
markush

Markush Technology Breakthroughs

May 20, 2015 - Poster
Markush structures are widely used in combinatorial chemistry and chemical patents to define large chemical spaces. ChemAxon released the first version of Markush Search & Enumeratio…
mcs

The Next Generation of Maximum Common Substructure Search at ChemAxon

May 29, 2013 - Presentation
Finding the maximum common substructure (MCS) among molecules has many applications in the field of cheminformatics. It can be used in automated reaction mapping and molecule alignment, a…
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…
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…
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…
virtuadrug

DockingServer: GUI-based molecular docking on the web using Chemaxon tools

May 7, 2008 - Presentation
DockingServer (www.dockingserver.com) is an internet service developed by Virtua Drug Ltd that calculates the site, geometry and energy of small molecules interacting with proteins. It of…
cartridge

Compound storage and retrieval with JChem Cartridge for Oracle

May 19, 2005 - Presentation
Key topics: JChem Cartridge as a JChem Base extension to SQL functional perspective architectural perspective Getting the most out of the cartridge
workshop

Fine tuning JChem Cartridge

Jun 8, 2006 - Presentation
Granting user privileges – one example with JChem tables, one with regular structure tables Performance – Rearranging queries to use filter queries and/or composite queries &…
cart

Oracle Cartridge latest

Jun 8, 2006 - Presentation
Management: – simplified upgrade procedure – support for granting privileges to users in a semi-automated configuragable way Performance: – multiple query structures ca…
beautification

Standardizer - Molecular Cosmetics for Chemoinformatics

Jun 1, 2006 - 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 …
advancedsearch

Advanced Structural Search Using ChemAxon Tools

Mar 16, 2005 - Presentation
Molecular search techniques are invaluable tools in all cheminformatics systems including rational drug design, compound registration systems and laboratory information management systems…
standardizer

Advanced Structural Search Using ChemAxon Tools

Nov 19, 2004 - 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…

Making the Most of Approximate Maximum Common Substructure Search

Jul 22, 2013 - Poster
The maximum common substructure (MCS) problem is of great importance in multiple aspects of chemoinformatics. It has diverse applications ranging from lead prediction to automated reactio…