Introduction to CheminformaticsData management, manipulation and properties

Launched May 2011 Updated April 2022 20 lectures
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.