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
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.
- Supported Dataset Formats and Size
- Cluster Algorithms
- 3D Embedding
- Algorithm Runtimes
- Export/Import Wizard Settings
- Working with the 3D Viewer (Updated for Ches-Mapper version 2, includes many screen-shots that explain the functionalities.)
- CheS-Mapper Tutorial 1 - Introduction
- CheS-Mapper Tutorial 2 - 3D Embedding and Feature Selection
- CheS-Mapper Tutorial 3 - SAR Analysis and Visual Validation (Introduction of new 2.0 features.)
Text Based Tutorial
- Tutorial - Mapping a dataset with integrated features - v2 (with SAR analysis)
- Tutorial - Structural clustering using OpenBabel fingerprints - v2 (uses Cox2 data, with SAR analysis)
- KNIME Node Tutorial - Visual validation of a QSAR prediction
- Tutorial - Mapping a dataset with integrated features
- Tutorial - Structural clustering using OpenBabel fingerprints (uses PBDE data)
- Workshop Handout - Visualize and Explore Chemical Feature Space of a Dataset (OpenTox 2013, PDF, 4 pages)
- Version 2.5 - Release date: 19 September 2014
- Version 2.4 - Release date: 3 September 2014
- Version 2.3 - Release date: 15 August 2014
- Version 2.2 - Release date: 18 July 2014
- Version 2.1 - Release date: 23 June 2014
- Version 2.0 - Release date: 28 March 2014
- Version 1.11 - Release date: 13 September 2013
- Version 1.10 - Release date: 9 September 2013
- Version 1.9 - Release date: 17 August 2013
- Version 1.8 - Release date: 16 July 2013
- Version 1.7 - Release date: 29 May 2013
- Version 1.6 - Release date: 5 April 2013
- Version 1.5 - Release date: 28 March 2013
To use the datasets in CheS-Mapper just copy and paste the URL into the text-field in the first wizard step.