Integrating JChem and Marvin with an ELN

May 19, 2010 - Presentation
We will describe how we (well Contur) are using Marvin & Reactor in their ELN and how we are using JChem Cartridge to link it to our compound sourcing database so searches can be don…

SPrime: Computational Chemistry Application and Framework for Drug Discovery

Sep 15, 2009 - Presentation
We have designed SPrime (System for Predictive In-silico Method) – a new computational chemistry application and framework for drug discovery. It enables scientists to design librar…

Custom Calculators in ChemAxon Tools and KNIME

May 23, 2012 - Presentation
Over the years, Evotec has built up a library of custom calculators. With the new Services interface built in to Marvin, we are now easily able to integrate these across our own applicat…
Author: ()
daniel robertson

The Lilly Open Innovation Drug Discovery Program (OIDD)

Sep 24, 2013 - Presentation
Through OIDD, Lilly has established a network of top global research talent at academic and biotech institutions to provide them access to proprietary, in vitro phenotypic and target-base…
edmund taylo

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

Benchmarking ChemAxon’s Name-to-Structure batch tool on patent text

May 17, 2011 - Presentation
SureChem is a provider of chemistry patent search products based on a database of 12 million chemical structures extracted from the full text of EP, US and WO patent documents as well as …

Assisted Data Exploration in Chemical Biology

Sep 26, 2012 - Presentation
There are a number of chemical spread-sheeting tools available to medicinal chemists which provide a “2D” view of a particular discovery campaign.  Though many of these provi…
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

Chemical Ontologies for Life Sciences

May 23, 2012 - Presentation
We have developed a chemical structure based chemical ontology that allows to automatically annotate compounds with their chemical classes in databases or text documents. Thus, one may no…
Author: ()
Product group: Naming

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…

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 …

Integrating Instant JChem in the Discovering Organization of a Biopharmaceutical Startup

May 22, 2012 - Presentation
This presentation will cover a case-story on strategic choices, design and implementation of a database, using Instant JChem as a key tool for the organization, and management of the disc…

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

Migrating to ChemAxon – the good, the bad & the ugly

May 17, 2011 - Presentation
At Evotec we have been migrating from other vendors to ChemAxon for years, this year we are moving several key sites from ISIS and CambridgeSoft Suite to JChem based processes. This talk…

SharePoint for Scientists

Sep 14, 2010 - Presentation
Gabor Fari, Life Sciences Industry Solutions Strategist at Microsoft, will provide a brief overview of the activities of the Microsoft Life Sciences team in the area of Scientific Innovat…

A Novel Approach to Pharmaceutical Registration ‐ Registration as a Service

Sep 27, 2011 - Presentation
GSK has, over the last several year, taken an aggressive look at cost control in the IT area. Many IT systems and processes have been revamped in an effort to reduce cost. One of those ef…

Instant JChem: to link Chemistry and biology data

Sep 15, 2010 - Presentation
We will describe how we are using IJC across chemistry and biology to link data for many of our customers projects
Author: ()
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: ()
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