reading notes of《Artificial Intelligence in Drug Discovery》
1.Introduction
- In chemistry, we tend to describe large sets of molecules using the types of compounds it contains, e.g. peptides. Being able to automatically organize sets of molecules in a similar way would allow chemists to more naturally explore and retrieve information and knowledge from those sets.
2.Topic Modeling and LDA
- There exist several mathematical and algorithmic frameworks for constructing such topic models. They usually share the common idea that the data was generated in a context and that information about the context is latently present in the data. When provided with enough data the most common contexts can be reconstructed.
- Latent Dirichlet Allocation
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