Machine learning on Essential oils active against S. Typhimurium

The notebooks are in the following order:

1. EO_preprocessing.ipynb
2. Chemical_names_to_smiles.ipynb
3. /chemical_composition/chemical_composition.ipynb
4. /extra_trees/data_aggregation.ipynb
5. /extra_trees/XGBoost.ipynb
6. /extra_trees/Visualizations.ipynb