Library

ChemAxon European User Group Meeting (UGM), Budapest, May 19-21, 2014

Jul 4, 2014 - Report
The meeting was held at the Novotel Centrum in Budapest, as in 2012. About 70 users and partners gathered plus nearly 120 ChemAxon attendees.

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…
clauson

Migrating a legacy platform from the “DOS age” to Instant JChem - easier than expected

May 20, 2014 - Presentation
A user’s story on a successful transition into the modern era: Niels Clauson-Kaas A/S, a small contract research and development organisation, created a reaction database in 1990. The d…
exquiron

Farewell, PipelinePilot : Migrating the Exquiron cheminformatics platform to KNIME and the ChemAxon technology

May 21, 2014 - Presentation
As a service provider for hit identification, Exquiron needs to offer a state-of-the-art cheminformatics, data analysis and reporting platform to their clients. For historical reasons, th…
Product group: Workflow tools
aptuit2

Expanding the scope of “literature data” with document to structure tools

May 21, 2014 - Presentation
Data associated to chemical structures reported in literature are very important in drug design as they expand the scope of in-house generated knowledge. Public and commercially available…
Product group: Naming
bi1

Large and smaller - how to approach a relationship to get the best results

May 20, 2014 - Presentation
Two partners: ChemAxon and Boehringer Ingelheim One goal: Migrating the ISIS platform to ChemAxon tools And 1000 differences The decision to migrate to ChemAxon doesn’t just include…
sayle

Implementing ISO standard 11238 compliance with ChemAxon tools

May 21, 2014 - Presentation
Without standards the world would be a place of utter chaos. With the ever increasing complexity of modern life, standards specifications ensure interoperability between the multitude of…
Product group: Naming
bolton

GlaxoSmithKline: 5 years with ChemAxon

May 21, 2014 - Presentation
GlaxoSmithKline began using ChemAxon tools across its enterprise systems in late 2009. A selection of presentations from previous UGM which reflect the increasing usage and show the deve…
aptuit1

Aptuit Compound Registration and Integrated Discovery Data Management with the ChemAxon platform

May 20, 2014 - Presentation
Aptuit Verona transitioned from a former Pharma R&D Center to an integrated Contracting Discovery & Development Organization (CDDO). This presentation will describe how we colla…
Product group: IT platform toolkit
novartisprez

Building on the Instant JChem platform at NIBR

May 20, 2014 - Presentation
Instant JChem (IJC) was first introduced at NIBR as a replacement for a number of legacy applications. Driven by the very positive response from our chemistry community, we have fully int…
01_Ian_Berry

Keynote

May 20, 2014 - Presentation
ChemAxon’s user group meeting (UGM) in 2014, Budapest started with a keynote, a talk between our CEO, Alex Drijver and Ian Berry, Manager, Informatics at Evotec, a contract research…
brock

A ChemAxon/KNIME based tool for designing chemical libraries

May 21, 2014 - Presentation
As the usage of parallel synthesis in early stage drug discovery has evolved, medicinal chemists have demanded ever more sophisticated tools for the design and virtual screening of potent…
Product group: Workflow tools
elililly

Making Workflows Work: Enterprise deployment of KNIME at Lilly

May 21, 2014 - Presentation
Workflow tools claim an easy approach to automate tasks and provide interoperability between software packages. The metaprogramming concept of graphical workflows should create a lower b…
Product group: Workflow tools
03_Edit_Richter

Replacing Cheshire with Standardizer and Structure Checker at Boehringer Ingelheim

May 20, 2014 - Presentation
Registering compounds in a database from various sources has to pass several steps – and one important step is to check whether the structural representation meets pre-defined internal …
markush

Creating and understanding Markush libraries

Jun 25, 2014 - Webinar
Markush structures are widely used in combinatorial chemistry and patents to define large chemical spaces. However, handling complex Markush structures (containing hundreds of fragments) …
Product group: Markush IP

Physicochemical property based scoring scheme for design of an aminerg GPCR targeted fragment library Fragment GPCR Score

May 21, 2014 - Presentation
Our proposed goal was the design of a physicochemical property-based scoring method for fragment-based drug discovery. The method was developed for sorting commercially available and virt…
plexussuite

Function Overload - solving the UI problem with Plexus Suite

May 20, 2014 - Presentation
Over the last year we have been merging several existing products, calculators and search tools into one unified web platform, Plexus Suite. Different types of user can access discipline …
Author: ()
Product group: Desktop applications
plexusposter

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. It aims to give chemists powerful cheminformatic…
chemcuratorposter

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. Existing databases are optimized for patent searc…
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