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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

CheS-Mapper has been published here: Gütlein, Karwath and Kramer (2012). If you are using CheS-Mapper for a publication (exploring your data, taking screen shots), please support us by citing our paper.

Documentation

The above mentioned paper is a bit outdated, but gives an introduction into the field, a description of the program workflow and details on the integrated algorithms.

This presentation (PDF, 30 slides) gives an introduction to CheS-Mapper (held at the OpenTox 2013 in Mainz in October).

Troubleshooting

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Outdated: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.