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Introduction to CheminformaticsData management, manipulation and properties

Launched May 2011 Updated October 2024 22 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.

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Representation of Chemical Structures (3 Lectures)  

Visualization of Chemical Structure (1 Lecture)  

Basic Algorithms in Cheminformatics (3 Lectures)  

Structure Databases (2 Lectures)  

Quantitative Structure-Activity/Property Relationships (1 Lecture)  

Machine Learning in Cheminformatics (1 Lecture)  

Cheminformatics in Drug Discovery (4 Lectures)  

Molecular Modelling (2 Lectures)  

Computer-Assisted Structure Elucidation (2 Lectures)  

The Chemical Semantic Web (1 Lecture)  

Open Notebook Science and the Open Access Movement in Chemistry (1 Lecture)  

Archived Lectures *These may not cover the latest advances in the field (1 Lecture)