ChemAxon training session at KNIME UGM, February 3rd, Zurich
When:
From 9.00 am till 10.30 am, 3rd February, 2012
Location:
Technopark – Zurich, Switzerland; Room Newton 1009, 1st floor.
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ChemAxon is a partner of KNIME in chemical data analysis and datamining tools and – through the JChem Extension nodes developed by Infocom Inc – in workflow management.
On the 5th User Group Meeting of KNIME ChemAxon will have a training session where our application scientist colleague, Attila Szabó will demonstrate how ChemAxon tools can be used in KNIME.
Within the demonstration we will focus on several ChemAxon tools including Reactor, the Marvin suite, JChem Base, Standardizer, Calculator plugins, Screen and our Markush technology.
Highlighted topics of the training session:
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1. Chemical database management using JChem Base in KNIME
- Insert, update and delete structures from database
- Chemical structure search, check and standardization
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2. Library design
- Synthetically feasible reaction enumeration
- Compound characterization
- Fingerprints
- Clustering
- Similarity search
- Compound fragmentation
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3. Knowledge management – chemical text mining in patents and scientific journals
