Library

ChemAxon US User Meeting, San Francisco, April 10-11, 2017

Apr 10, 2017 - Report
  Introduction US ChemAxon users gathered at the Sheraton Fisherman’s Wharf, San Francisco for the annual meeting. A hands-on workshop and biomolecule forum took place in the morni…

Consultancy Use Cases

Apr 11, 2017 - Presentation
ChemAxon’s consultancy service help clients: evaluate, deploy, adopt, and extend the utility of our informatics within their research processes and internal workflow systems. This prese…
Author: ()
Product: Consultancy
marmon

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…
abbot

Experiences with Reactor in Pipeline Pilot

Sep 15, 2009 - Presentation
Virtual libraries are potentially a source of novel compounds which could be used in virtual screening, lead optimization and lead hopping. In order for a virtual compound library to be …
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…
reisser

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…
D2_12_Brock_Luty

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: KNIME
knimevotec

Using Knime to provide desktop tools to chemists

May 18, 2011 - Presentation
This presentation will show how at Evotec we are using Knime as a desktop tool to help chemists process their data. The talk will provide illustrations of extracting reports and data from…
Author: ()
Product: KNIME
D2_10_Serge_P_Parel

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…
D2_11_James_A_Lumley

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: KNIME
pipeline

Pipeline Pilot Integration

May 19, 2010 - Presentation
The presentation covers the new features and recent improvements of the “ChemAxon for Pipeline Pilot” component collection, as well as our plans for future development.
pipeline

Pipeline Pilot Integration

Sep 16, 2009 - Presentation
The presentation covers some of the new features and recent improvements of the ‘ChemAxon for Pipeline Pilot’ component collection, as well as our plans for future development.
knimetimi

Virtual library generation using KNIME

May 19, 2010 - Presentation
Showing one example workflow for a focused library generation; the generated virtual library by Reactor will be further processed to find the most similar compounds to a given active set …
Product: KNIME
D2_13_Adam_Andor_Kelemen

Physicochemical property based scoring scheme for design of an aminerg GPCR targeted fragment library Fragment GPCR Score

May 21, 2014 - Presentation
Our proposed goal was the design of a physicochemical property-based scoring method for fragment-based drug discovery. The method was developed for sorting commercially available and virt…
lilly

A knowledge-based approach for reaction generation: development, validation and applications

Jun 4, 2009 - Presentation
We present a new method for knowledge-based driven reaction generation. The structural changes at the reaction centre are described using reaction vectors1. The reaction vectors are deriv…
idbs

The right reaction - ChemAxon in IDBS E-WorkBook

May 23, 2012 - Presentation
IDBS has called upon the ChemAxon Reactor toolkits to assist in building a chemistry ELN solution for discovery chemists that run parallel synthesis experiments. The solution supports enu…
Author: ()
Product: Reactor
pipeline

Pipelining ChemAxon

Jun 8, 2006 - Presentation
Pipeline Pilot is the industry leading enterprise platform for the automation of scientific workflows. It is designed to be open and extensible and following a fruitful joint development …
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