Library

Chemical Annotation of Patents Using INTELLIXIR with ChemAxon

Sep 15, 2016 - Presentation
Questel starts what we expect to be a long time collaboration with ChemAxon, leader in Chemical Structure detection. We present you the first implementation of chemical features in Queste…

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…

Challenges in Updating an Enterprise Environment: Progress Toward Updating the ChemAxon Tools at GlaxoSmithKline

Sep 15, 2016 - Presentation
ChemAxon has been a strategic partner with GSK for many years now and has allowed for GSK to envision a comprehensive Chemistry Desktop that works seamlessly from molecule design to all t…

Merck Virtual Library (MVL): Deployment, Application and Future Enhancement

Sep 14, 2016 - Presentation
An update of MVL will be given with some observations obtained from its one-year long cloud deployment in terms of performance, robustness, cost, and admin effort required. An overview of…
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Product groups: IT platform toolkit, Markush IP

Implementing an Integrated Compound Registration System in the Cloud

Sep 14, 2016 - Presentation
Compound Registration is a crucial component of small molecule research application platforms. The system needs to follow complex workflows in order to validate and standardize chemical s…

Marvin Live at Vertex Pharmaceuticals Incorporated

Sep 14, 2016 - Presentation
We will describe briefly how Marvin Live is used at Vertex Pharmaceuticals Incorporated. We will share our involvement in the early development of Marvin Live.

AMRI Leverages Instant JChem for Compound Libraries

Sep 15, 2016 - Presentation
AMRI recently launched a Compound Library Consortium (CLC), to deliver 70,000 compounds within 2.5 years for three different partners. AMRI selected Instant JChem (IJC) from ChemAxon to …

Instant JChem in virtual high throughput screening and commercial compounds selection

May 25, 2016 - Presentation
Search for potential hit compounds using commercially available compound libraries is an important step in the early stage of drug discovery process. An in-house database of commercial co…

ChemAxon's Future Plans & News

Sep 14, 2016 - Presentation
Right at the beginning we would like to give our audience a general understanding of ChemAxon’s future development plans and business directions. Based on our future vision, we already…

Biomolecules at ChemAxon

Sep 14, 2016 - Presentation
ChemAxon’s Biomolecule Toolkit – now extended with an editor, called BioEddie – is a webservice-based toolkit to bridge the gap between biology and chemistry for complex biomole…

Small Molecules in Big Data: Proceed with Caution!

Sep 14, 2016 - Presentation
The Schürer research group at The University of Miami is one of three sites for the Big Data to Knowledge (BD2K) Data Coordination Integration Center (DCIC) of the Library of Integrated …

Efficient Heuristics for Maximum Common Substructure Search

Apr 11, 2015 - Publication
Maximum common substructure search is a computationally hard optimization problem with diverse applications in the field of cheminformatics, including similarity search, lead optimization…

ChemLocator

Sep 15, 2016 - Presentation
This presentation will focus on several, smaller user stories where the core problem is to find relevant chemical data in various internal and external document repositories. The problem …

Instant JChem and Plexus Suite

Sep 15, 2016 - Presentation
Instant JChem is a desktop application designed for researchers. With Instant JChem you can create, explore and share chemical and non-chemical data in local and remote databases without …

Chemicalize

Sep 15, 2016 - Presentation
Chemicalize was created as a free, online demonstration and advertising application of ChemAxon’s naming and calculation technologies eight years ago. Currently this is one of the most …
Product group: Discovery toolkit

ChemAxon's MadFast Similarity Search

Sep 14, 2016 - Presentation
MadFast is an ongoing development effort to provide useful tools for similarity based search, overlap analysis and clustering. I would like to give a short introduction on the current sta…

Plexus Analysis

Sep 15, 2016 - Presentation
Plexus Analysis, just like other tools in the Plexus product family, is a web-based software for data visualization and analytics. It can fetch data from Plexus Connect tables, but throug…

Questel partners with ChemAxon

May 24, 2016 - Presentation
A partnership was recently signed between ChemAxon and Questel. The outcome of such partnership has already lead to a new product released this month on the Intellixir platform. With furt…

Fast similarity searching – making the virtual real

May 24, 2016 - Presentation
Similarity searching is a key component of many chemoinformatic processes including compound collection design, compound clustering and lead hopping. We have command-line tools for bespok…
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