UGM Budapest 2015

Michael Berthold, Mihály Medzihradszky

KNIME, ChemAxon


The keynote talk of our Budapest User Group Meeting in 2015 was presented by Michael Berthold, the president of KNIME…

Yvonne's Take External digest of the talks


Richard Bolton


Consistent Stereochemical search at GlaxoSmithKline

GlaxoSmithKline (GSK) has recently upgraded its ChemAxon small molecule registration system to allow end-users the ab…

Anna Pelliccioli


What else can you do with the Markush cartridge? Tracking chemical series for project teams

We have developed a new application that allows scientist to store and search generic scaffold structures. This was p…

Gábor Pőcze, András Dancsó

ComCix, Egis Pharmaceuticals

Two sides of a migration process

Egis Pharmaceuticals PLC, Budapest, Hungary, developed a chemical database for 20 years based on at first MDL's ChemB…

Stephen Pickett


Development of web-based Chemistry Design Tools at GlaxoSmithKline

At GSK we have a long history of putting design & analysis tools into the hands of medicinal chemists. However, for a…

Matthew Segall


StarDrop and Plexus integration: Guiding high quality library design

StarDrop guides the design and selection of high quality compounds in drug discovery using unique approaches such as …

Thierry Kogej


Increase compound collection value and diversity through collaborations, partnerships, and open-innovation

Pharmaceutical R&D is facing increasing pressure such as rising operational costs, depleted pipelines and patent expi…

Burkhard Schaefer

BSSN Software

Managing analytical data in a chemical context with Instant JChem and the AnIML data standard

ChemAxon and BSSN Software have partnered to bring analytical data support to ChemAxon products, such as Plexus and I…

Jens Francke


Usage of JChem for SharePoint in a global enterprise context

What we really appreciate is ChemAxon's support team. They are really competent and professional. I really liked that they are extremely responsible too.

The introduction of SharePoint has changed the working environment at Bayer significantly. The exchange of documents,…

Michael J. Bodkin


Algorithms, Evolution and Network-Based Approaches in Molecular Discovery

Drug research generates huge quantities of data around targets, compounds and their effects. Network modelling can be…

George Papadatos


SureChEMBL: An Open Patent Chemistry Resource

SureChEMBL is a new resource provided by the European Bioinformatics Institute (EMBL-EBI) that annotates, extracts an…

Alexandre Varnek

Université de Strasbourg

Towards an expert system for predicting reaction conditions: the Michael reaction case

A generic chemical transformation may often be achieved under various synthetic conditions. However, for any specific…

Zoltán Simon


Drug Profile Matching - Drug Discovery by Polypharmacology-based Interaction Profiling

Most drugs exert their effects via multi-target interactions, as hypothesized by polypharmacology. Here we introduce …


Andreas Nicklas


Process Performance - a software approach

Pilot runs are subject to optimizing resource and material usage - how can this be accomplished in a concerted approa…

Jan Holst Jensen


Macromolecules in microseconds

Biochemfusion will show its registration system that spans small molecules to large macromolecules. Direct Excel inte…

Alexander Steudle


D360: A Scientific Data Access, Analysis and Collaboration Software

Certara is dedicated to improving healthcare by shortening the time it takes to successfully bring a new drug to mark…

Anthony Barnardo


ChemAxon and IDBS - A brief history

IDBS provide an electronic laboratory notebook for chemistry and biology (E-WorkBook) as well as a compound managemen…

Jon Fuller


A quick tour of example applications using KNIME and JChem

We will look at both rich client and web based workflows to cover a variety of common tasks in chemical data analysis.

Róbert Kiss


Mcule: Cloud computing, Instant Quote & Delivery

Mcule is an online drug discovery platform. It is combining cloud infrastructure with molecular modeling tools and an…


Krisztián Niesz, Masami Fujiki

ChemAxon, Patcore

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

Today, company compliance is one of the most important business management challenges. To date there are no tools tha…

Krisztián Niesz, Iván Solt, András Strácz


Plexus – Design & Discovery

Plexus Discovery is a full drug discovery platform that allows chemists to easily get on the most common virtual libr…

András Strácz, Iván Solt, Krisztián Niesz


Solving Real Time Collaboration with Marvin Live

Marvin Live is a 2-in-1 collaborative sketcher & a real time meeting assistant that is built to facilitate today’s …

Krisztián Niesz, Roland Knispel


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

ChemAxon’s Biomolecule Toolkit is a webservice-based toolkit for adding chemical intelligence to the handling of co…

Árpád Figyelmesi, Gábor Botka, János Kendi, Péter Kovács


Markush Technology Breakthroughs

Markush structures are widely used in combinatorial chemistry and chemical patents to define large chemical spaces. C…

Árpád Figyelmesi, Daniel Bonniot de Ruisselet


Chemical Patent Curation and Management - new tools and capabilities

Understanding the competitors’ patent portfolios and protecting their own IP are key questions for all life science…