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…
kevin clark

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…
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 …
zhenbin li

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…
dana vanderwall

Instant JChem - enabling new ways of working with data and access to new data to work with

Sep 25, 2014 - Presentation
The introduction of Instant JChem and underlying ChemAxon technologies, along with a new data infrastructure designed with analytics in mind, has provided a platform with significantly mo…
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…

Tuning hERG Out: Antitarget QSAR Models for Drug Development

Feb 11, 2014 - Publication
Several non-cardiovascular drugs have been withdrawn from the market due to their inhibition of hERG K+ channels that can potentially lead to severe heart arrhythmia and death. As hERG sa…
gerald wyckoff

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…
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
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
J. Zane Barlow

Marvin JS goes to College

Sep 26, 2014 - Presentation
Marvin JS is a novel light-weight chemical editor suitable for generating standard chemical structures without the need for installing Java, designed by ChemAxon. It provides all the ess…
zhengwei peng

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…
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…
jinling sui

Building the Bioinformatic Platform for Drug Discovery at Flatley Discovery Lab

Sep 26, 2014 - Presentation
Building a suitable bioinformatic platform for small molecule R&D with high throughput screening (HTS) is challenging for a small biotech startup with limited experiences and resourc…
Product group: IT platform toolkit
xin zhang

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
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
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…
zhengwei peng

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
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