- Course overview
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- What is machine learning?
- ML in drug discovery: why now?
- ML in the drug discovery pipeline
- Getting started in ML using WEKA
- Identifying targets for cancer using gene expression profiles
- Other tools utilising ML or NLP for drug discovery
- Summary
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- References
Interpreting the results
Clustering is useful for data exploration. However, it is difficult to assess the quality of clustering if data is unlabelled, which restricts the usefulness of clustering for inferencing. If class labels are known, we can apply supervised learning, which is much more powerful for predicting labels of unseen data in the testing set. We will illustrate this use case in the next exercise.