Author: Miklós Szabó

Plexus Suite

May 24, 2016 - Presentation
Plexus Suite delivers intuitive and easy-to-use cheminformatics solutions to life sciences team members, specially focusing on chemists and biologists for pharmaceutical research. A singl…
Product: Plexus Suite
qsar pic

Clustering Using Flexible 3D Alignment Based Similarity

Nov 8, 2012 - Poster
There are several approaches to cluster chemical structures. Classical 2D descriptor (for example chemical fingerprints or ECFP) and structure based methods are the most widely spread. Co…
urea

JChem AnalogMaker: A software for generating targeted novel synthetically feasible lead molecules

Apr 1, 2004 - Poster
JChem AnalogMaker is a program for de novo design and lead optimization. It uses an evolutionary search algorithm to optimize fragment-built molecules against a user customizable goal fun…
mikiszabo

Recent Successful Discovery Strategies: a Cheminformatist’s Perspective

May 29, 2013 - Presentation
Pre-clinical drug discovery strategies include target-based and phenotypic screening, natural substance modifications and biologic approaches. To demonstrate how cheminformatics approache…
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…
3dtimi

3D visualization for medicinal chemists

May 28, 2013 - Presentation
A typical medicinal chemist research scenario involves more and more 3D molecular modelling. Current components utilized in visualization and manipulation of experimetal X-ray structures …
virtualscreen

Virtual screening using active set dependent optimization of dissimilarity metrics

Sep 11, 2003 - Poster
The efficiency of virtual screening in drug discovery greatly depends on three factors: (1) pharmacophore point perception (2) representation of molecular structures with a descriptor, (3…
miklos szabo

Introducing Plexus - the ChemAxon Collaborative Research platform

Sep 25, 2014 - Presentation
This presentation will demonstrate the new Plexus platform, combining several ChemAxon technologies in an intuitive yet powerful modular web-based application, allowing researchers in Dr…
Product: Plexus Suite
adriánposter

Clustering of Small Molecules Based on Similarity Scores From Flexible 3D Alignment

May 28, 2013 - Poster
There are several approaches for clustering chemical structures. Among these, the structure-based methods and techniques using classical 2D descriptors (e.g. chemical fingerprints or ECFP…
andras stracz

Evolution of the ChemAxon product portfolio

Sep 25, 2014 - Presentation
ChemAxon has been developing chemical data management tools, toolkits and applications for 16 years,
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…
tim aitken

New Product Developments

Sep 24, 2013 - Presentation
For over 15 years, ChemAxon has successfully developed and delivered database technologies, programming APIs and expert tools for definition, management and mining of chemical data. Today…
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…
10_Tim_Aitken

Evolution of the ChemAxon product portfolio

May 20, 2014 - Presentation
ChemAxon has been developing chemical data management tools, toolkits and applications for 16 years, primarily to the life science industry. Over this time, changes in the industry and te…
oszlop

Virtual Screening Using Fingerprints Part II. Enhanced Search by Optimized Dissimilarity Metrics

Aug 15, 2003 - Poster
A large compound database is explored for structures that bare a similarity to a few given query structures, where the molecular similarity refers to the match of chemical, pharmacologica…
academyposter

Analysis of the NCI60 drug toxicity patterns using ChemAxon's 3D alignment tool

May 20, 2014 - Poster
The NCI-60 panel is a collection of 60 human cancerous cell lines maintained by the National Cancer Institute. Since 1990 more than 100,000 chemical compounds and natural products have be…
DAY_01_12B

Plexus Suite

Sep 30, 2015 - Presentation
Plexus Suite is a web-based software package to access, display, search and analyze scientific data. A number of ChemAxon tools are integrated into the software suite and more will come, …
Product: Plexus Suite
screen

Screening a Virtual Compound Space

Jul 2, 2004 - Presentation
From virtual screening to de novo drug design, there is a wide spectrum of tools available for computer aided drug discovery. The methods developed have their strengths as well as their w…
results

Optimized Virtual Screening

Nov 15, 2003 - Presentation
Drug research is often termed as searching for a needle in a haystack. Virtual screening is widely recognized as a valuable tool to effectively reduce the size of the ‘haystack̵…
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…
propcalc

Chemical Terms, a Language for Cheminformatics

Mar 29, 2007 - Presentation
This presentation gives an overall understanding about ChemAxon’s Chemical Terms which is a simple but extensible language, a general interface to combine chemical functions for var…
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…

Screen GUI sneak peek

May 16, 2013 - Tutorial
Get a sneak peek into the current state of the Disco toolbox prototype development as of May 2013. Conceptual user interaction design for property space visualization, snapshot management…
Author: ()
Product: Screen

Library Design with ChemAxon nodes in KNIME

Nov 14, 2012 -
KNIME software is a graphical workflow manager tool, which allows scientists to create flexible graphical workflows without extensive programming knowledge. Most of the ChemAxon’s Disco…