Main Page

From CheS-Mapper Wiki
Revision as of 13:52, 4 April 2016 by Martin (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search


Welcome to the CheS-Mapper Wiki Pages

This wiki page provides documentation and tutorials for the CheS-Mapper, Chemical Space Mapping and Visualization in 3D.

To run or download the application visit the official CheS-Mapper Homepage: http://ches-mapper.org

How to cite CheS-Mapper

If you are using CheS-Mapper for a publication (exploring your data, taking screen shots), please support us by citing Gütlein, Karwath and Kramer (2012) and (2014).

Documentation

The 2012 paper refers to an older version of CheS-Mapper. It gives an introduction into the field, a description of the program workflow and details on the integrated algorithms.

This presentation (PDF, 30 slides) provides a more compact introduction to CheS-Mapper (held at the OpenTox 2013 in Mainz in October).

The 2014 paper describes new features and how they can be used for analysing (Q)SAR information in your dataset.

FAQ

Wizard

3D-Viewer


Tutorials

Video Tutorial

Text Based Tutorial

Outdated:

Handouts


Version History


Datasets

To use the datasets in CheS-Mapper just copy and paste the URL into the text-field in the first wizard step.

Link Size 3D available Reference
http://opentox.informatik.uni-freiburg.de/ches-mapper/data/caco2.sdf 100 yes [1]
http://opentox.informatik.uni-freiburg.de/ches-mapper/data/NCTRER_v4b_232_15Feb2008.ob3d.sdf 232 yes [2]
http://opentox.informatik.uni-freiburg.de/ches-mapper/data/cox2.sdf 467 yes [3]



Contact: Matrin Gütlein ches-mapper@informatik.uni-freiburg.de, CheS-Mapper was supported by http://opentox.org.


-