Author: Krisztián Niesz

Chemical Weapons

Apr 1, 2014 - Publication
One of the most important business management challenges for chemistry departments in the global life sciences industry is dealing with controlled substance compliance. Controlled substan…

Chemical Patent Curation and Management - new tools and capabilities

May 20, 2014 - Poster
Understanding the competitors’ patent portfolios and protecting their own IP are key questions for all life science research companies.

Supporting Open Innovation with Novel Software Solutions

Nov 14, 2012 - Poster
As pharma companies find themselves in an increasingly tight corner regarding pharmageddon less and less money is available for primary research. This has led to the rapid rise of Open In…

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

Feb 15, 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…

Solving Real Time Collaboration with Marvin Live

Feb 17, 2015 - Poster
Marvin Live is a 2-in-1 collaborative sketcher & a real time meeting assistant that is built to facilitate today’s project and design discussions many times done remotely. This pos…

Plexus – Design & Discovery

May 20, 2014 - Poster
Plexus Discovery is a full drug discovery platform that allows chemists to easily get on the most common virtual library design processes.

Crowdsourcing New Chemical Entities: Development of a Submission Interface to Assess Relevance for Open Innovation Projects

Feb 15, 2013 - Poster
While outsourcing discovery research is a well-established process, crowdsourcing in a discovery research environment is a much newer approach. The authors report on the development of an…

Speeding and Refining Chemical Analysis and Visualization in Drug Discovery Processes: a Powerful Combination of Instant JChem and Spotfire

Sep 26, 2012 - Presentation
In this demonstration we would like to show the improved visualization capabilities of ChemAxon’s Instant JChem, as well as to present its integration with TIBCO’s Spotfire Pr…

Bridging chem- and bioinformatics with Biomolecule Toolkit, a cheminformatics solution for Biologics

Feb 20, 2015 - Poster
ChemAxon’s Biomolecule Toolkit is a webservice-based toolkit for adding chemical intelligence to the handling of complex biomolecules. It provides an unambiguous representation at a seq…

Compliance Checker: A simple compliance tool that helps you stay on the safe side

May 20, 2014 - Poster
Today, company compliance is one of the most important business management challenges. To date there are no tools

Sketching chemistry on the web

Aug 26, 2014 - Webinar
The desire towards sketching chemistry on the Web is increasingly coming to the front throughout the chemical industry. In this webinar we are focusing on Marvin JS, the newest addition …

Sketching Chemistry with Marvin: What's new? Tips & Tricks

Aug 16, 2012 - Webinar
Presenter: Krisztián Niesz – Application scientist at ChemAxon “Now that I didn’t know!” Marvin has extensive functionality to make sketching and working with str…

CRAIS Checker -The controlled substance checker system

Oct 17, 2013 - Webinar
Have you ever been in a situation when you or your peers worked with a controlled substance without even knowing about it? Maybe you’ve purchased a reagent to fulfill your synthesis nee…

Speeding and refining chemical search, analysis and visualization with Instant JChem and Spotfire

Mar 8, 2012 - Webinar
Ben McGraw, Sr. Director, Life Science Industry Solutions, TIBCO Software Inc., and Krisztián Niesz, Application Scientist, ChemAxon Ltd., as they talk about the new integration of Insta…

New Approaches to Virtual Screening

Dec 18, 2013 - In Press
Figure 1: Schematic representation of virtual screening approaches within early-phase drug discovery. Virtual screening (VS) aims to reduce the enormous virtual space of chemical compound…