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Concepts in Cheminformatics
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We are a mass spectrometry (LC/MS, GC-MS) and NMR focused lab. You can read some of the synergistic approaches in the teaching section. Among common standard approaches for handling small molecule data we develop QSAR and QSPR methods which can lead to successful structure elucidation of unknowns. Please select some concepts at the left navigation bar.
Recommended books
Teaching slides
Recommended books
- Handbook of Chemoinformatics - 4 Volume Set (Gasteiger) [PDF] [DOI]
- Encyclopedia of Computational Chemistry - [Book]
- Wirkstoffdesign. Der Weg zum Arzneimittel von Hans-Joachim Böhm, Gerhard Klebe und Hugo Kubinyi, Spektrum Akademischer Verlag; [Book] New ISBN ISBN: 978-3-8274-1353-6
{This is one of the best chemistry/drug design books} - Cheminformatics - A Textbook [Book]
- Computational Chemistry List - CCL.net
Teaching slides
- Irilenia Nobeli - Cheminformatics
- Chemical Informatics at Indiana University - Courses
- Joao Aires de Sousa - Cheminformatics
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kind
Last modified 2008-07-09 06:35 PM
Last modified 2008-07-09 06:35 PM
