Library

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…
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
bibenli

Challenges and Approach in Migration of Chemistry Infrastructure for Systems and Applications

Sep 25, 2014 - Presentation
Chemistry infrastructure serves as a backbone of pharmaceutical discovery informatics. In last two year, we have implemented and migrated most of our applications and systems using ChemAx…
kyoto

CzeekD: Fragment-based de novo Drug Design System for Drug Discovery

Sep 26, 2014 - Presentation
It has been estimated that there is an enormous number of compounds that consist the vast chemical space and as such, the use of an optimal method to search for novel active compounds is …
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…
merckchemcurator

The needs and challenges related to in-depth analysis of patent molecular spaces to support drug discovery projects

Sep 26, 2014 - Presentation
In the course of small-molecule drug discovery projects, there are multiple use cases where in-depth analysis of patent molecular spaces is desirable. This talk will cover several main us…
Author: ()
Product groups: Markush IP, 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…
cubist

A chemistry friendly system integrating drug design tools and a consistent visual interface

Sep 26, 2014 - Presentation
Drug discovery today is challenging with metabolism and toxicity playing key roles. Here we present a web based system created at Cubist to allows scientist to use QSAR models and other c…
Author: ()
Product group: Desktop applications
brettgsk

From Desktop to Browser: ChemAxon Plexus in GlaxoSmithKline

Sep 25, 2014 - Presentation
Since its initial adoption of ChemAxon tools in 2009, GlaxoSmithKline has followed a roadmap moving from desktop tools to web-based enterprise solutions. This presentation will touch on p…
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
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…
merckmarkush

Construction of a vast virtual chemical space powered by ChemAxon’s Markush Search Platform and its utility in molecular design

Sep 26, 2014 - Presentation
With the addition of a molecular similarity search capability, the ChemAxon Markush Search platform is now capable of performing Exact, Sub-Structure, and Similarity searches. Those three…
Author: ()
Product group: Markush IP
dupont

Improving The Effectiveness Of Our R&D Organizations Through Incrementally-Enhanced Informatics

Sep 26, 2014 - Presentation
A typical life science researcher is expected to wear many hats, project manager, project progenitor, and of course, experimentalist. Computers and informatics systems have come to have a…
Product group: IT platform toolkit
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 …
clarktalk

Searching Project Team Documents with D2DB

Sep 26, 2014 - Presentation
At Genentech as in many other biotechnology and pharmaceutical companies, therapeutic project teams generate many documents during the course of a project. These documents contain valuab…
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…
chemalytics

Development of the Chemalytics Platform for Drug Discovery

Sep 26, 2014 - Presentation
Structure-based virtual screening is an important tool in the drug discovery process. The use of computational tools has allowed for the screening of large libraries of chemical compounds…
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