Introduction to CheminformaticsData management, manipulation and properties

Launched May 2011 Updated November 2012 20 lectures
Prof. Dr. Christoph Steinbeck
Friedrich-Schiller-University, Germany
Summary

Cheminformatics applies and develops methods in computer science to solve problems in chemistry. It covers a wide range of application areas in chemistry and its neighbouring disciplines, including quantitative structure activity/property prediction (QSAR, QSPR), prediction of chemical reactions, computer-assisted structure elucidation, generation of molecules spaces, and more. Traditionally, there has... read morebeen a focus on the pharmaceutical drug development process, with some early definitions of the Cheminformatics field being completely centred around it.