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- Introduction
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Machine Learning for Scent
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- 1 - Introduction
- 2 - Digitizing smell
- 3 - The sense of smell
- 4 - Problem setup
- 5 - Molecule fragrance dataset
- 6 - Baseline algorithms
- 7 - Graph neural networks
- 8 - Molecules to graphs
- 9 - Predicting odor descriptors
- 10 - The odor embedding space
- 11 - Molecular neighbors
- 12 - Generalization
- 13 - Explaining/interpreting predictions
- 14 - Summary and future work
