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The course will provide instruction and practical experience with computational resources to aid in the planning of high-throughput chemical screening experiments. This course will be useful to prepare your own screens or work with others to test compounds relevant to your research. The content will also explore critical appraisal and validation of experimental procedures before commencing with laboratory work. You will also be able to gain an understanding of how to begin analysing data generated in your screens. Using a combination of lectures, discussions and computer-based practical sessions, you will learn how to use computational tools for the design, refinement and analysis of high-throughput screen data.
This course is aimed at academic, not-for-profit and industrial researchers looking to conduct high-throughput chemical screens (HTS) as part of their wider research. The content will be of use to PhD students, post-docs and established researchers across a range of fields in biology, biochemistry and medicinal chemistry.
- Approaches to high-throughput chemical screening
- Data resources for planning chemical screening: ChEMBL, ZINC
- KNIME open-source software for workflow design
- Methods for quality control and validation
- Formulate a plan for a chemical screening experiment
- Employ a variety of resources to gather information on potential targets
- Design a suitable library screen of chemical compounds for testing
- Evaluate and validate your experimental workflow