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…
day02_snapshot_Jens_Francke_03

Usage of JChem for SharePoint in a global enterprise context

May 20, 2015 - Presentation
The introduction of SharePoint has changed the working environment at Bayer significantly. The exchange of documents, data and information between colleagues has moved from local solution…
Author: ()
Product group: IT platform toolkit
day02_snapshot_Andras_Dancso_02

Two sides of a migration process

May 20, 2015 - Presentation
Egis Pharmaceuticals PLC, Budapest, Hungary, developed a chemical database for 20 years based on at first MDL’s ChemBase then later ISIS/Base. The database included both chemical an…
day02_snapshot_Zoltan_Simon_02

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

May 20, 2015 - Presentation
Most drugs exert their effects via multi-target interactions, as hypothesized by polypharmacology. Here we introduce Drug Profile Matching (DPM) which is able to relate complex drug-prote…
Product group: IT platform toolkit
day02_snapshot_Matthias_Negri

Chemistry-enriched patent curation - automatized chemical and semantic analysis and elaboration of large patent sets

May 20, 2015 - Presentation
Currently, analysis of large patent sets is a tedious and cumbersome work. In order to improve and speed up this process we developed a patent curation-workflow, in which relevant chemica…
day01_snapshot_Anna_Pelliccioli_01

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

May 19, 2015 - Presentation
We have developed a new application that allows scientist to store and search generic scaffold structures. This was possible thanks to the Markush extension for the ChemAxon JChem Cartrid…
day02_snapshot_Thierry_Kogej_02

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

May 20, 2015 - Presentation
Pharmaceutical R&D is facing increasing pressure such as rising operational costs, depleted pipelines and patent expiries. In this environment, it is crucial to improve R&D pro…
Product group: IT platform toolkit
day01_snapshot_Richard_Bolton_02

Consistent Stereochemical search at GlaxoSmithKline

May 19, 2015 - Presentation
GlaxoSmithKline (GSK) has recently upgraded its ChemAxon small molecule registration system to allow end-users the ability to mark-up and register molecules with complex atom based stereo…
day02_snapshot_Mike_Bodkin_02

Algorithms, Evolution and Network-Based Approaches in Molecular Discovery

May 20, 2015 - Presentation
Drug research generates huge quantities of data around targets, compounds and their effects. Network modelling can be used to describe such relationships with the aim to couple our unders…
day02_snapshot_Stephen_Picket

Development of web-based Chemistry Design Tools at GlaxoSmithKline

May 20, 2015 - Presentation
At GSK we have a long history of putting design & analysis tools into the hands of medicinal chemists. However, for a variety of reasons, we have found ourselves with a proliferation…
day02_snapshot_Alexandre_Varnek_01

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

May 20, 2015 - Presentation
A generic chemical transformation may often be achieved under various synthetic conditions. However, for any specific reagents, only one or a few amongst the reported synthetic protocols …
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
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
Author: ()
Product group: Desktop applications
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