Library

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…

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Several non-cardiovascular drugs have been withdrawn from the market due to their inhibition of hERG K+ channels that can potentially lead to severe heart arrhythmia and death.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…
evotec

Classification and analysis of 21 million commercially available compounds

May 29, 2013 - Presentation
We will discuss how we classified and calculated properties for over 21 million commercially available compounds using a variety of ChemAxon and in-house tools (and aggregated properties)…
danni harris

DeltaSoft/ChemAxon Tools Empowering Screening, Lead Compound Discovery, SAR optimization for GPCR Targets in the RTI Drug Discovery Center

Sep 25, 2013 - Presentation
The manner in which DeltaSoft and ChemAxon tool sets have empowered discovery of novel lead compounds for both deorphanized and orphan GPCR receptors is described. Modules tracking high t…
standard

Standardizer - Molecular Cosmetics for Chemoinformatics

Jun 14, 2007 - Poster
A chemical compound can appear in various forms and its graphical representation often depends on the taste of the chemist. These variants are usually represented with different graphs in…
dubnium

Standardizer - Molecular Cosmetics for Chemoinformatics

Jul 15, 2006 - Poster
A chemical compound can appear in various forms and its graphical representation often depends on the taste of the chemist. These variants are usually represented with different graphs in…
broad

The Evolution of the Broad Chemical Biology Informatics Platform

Sep 27, 2011 - Presentation
The Chemical Biology Platform within the Broad Institute screens both the Molecular Libraries Small Molecule Repository (MLSMR) and a unique compound collection synthesized internally thr…
andras stracz

Evolution of the ChemAxon product portfolio

Sep 25, 2014 - Presentation
ChemAxon has been developing chemical data management tools, toolkits and applications for 16 years,
structchstand

Integrating Standardizer and Structure Checker into corporate environment

May 28, 2013 - Presentation
Registering compounds coming from different sources into a chemical database can be a non-trivial task. Not only the quality of the structures may be questionable, also the various repres…
10_Tim_Aitken

Evolution of the ChemAxon product portfolio

May 20, 2014 - Presentation
ChemAxon has been developing chemical data management tools, toolkits and applications for 16 years, primarily to the life science industry. Over this time, changes in the industry and te…
api

Command line tools of ChemAxon: tips and tricks

Sep 16, 2009 - Presentation
ChemAxon offers a comprehensive API for programmers accessing all classes and functionalities of the JChem toolkit. Database developers often use SQL statements via the JChem Cartridge fo…
rabel

Standardizer and Structure Checker in a Corporate Environment

Sep 24, 2013 - Presentation
Registering compounds coming from different sources into a chemical database can be a non trivial task. Not only the quality of the structures may be questionable, also the various repres…
DAY_01_05

Compound Registration

Sep 29, 2015 - Presentation
ChemAxon’s Compound Registration is a system built on a set of web services, aiding users to register molecular structures into a compound database. The registration process spots uniqu…
chemmarker

LeadMarker® - an integrated suite for managing chemical and biological information

May 19, 2005 - Presentation
We present LeadMarker(TM), a suite of tools which provide a customizable solution for acquiring and managing information generated as part of the drug discovery process. LeadMarker(TM) co…
deltasoft

Great Migrations! – Approaches to moving your chemistry

May 28, 2013 - Presentation
Many research teams are facing chemistry data migrations in the coming months due to legacy system retirements and/or the opportunity to move to new informatics platforms. Some approache…
sciquest

SciQuest and ChemAxon Joint Solution Options

Sep 25, 2012 - Presentation
SciQuest has partnered with ChemAxon, a leader in cheminformatics solutions for the biotechnology and pharmaceutical industries, to deliver a complete solution to our clients. Combined wi…
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