The AI4EssOil Project
Py-EO is a new database with the aim to collect as much as possible
experimental data on natural compounds, maily focused on Essential oils.
In this db new chemical composition and associated biological activity (activities) for a given sample will be stored.
Apart from the collection of data another important goal is the future application of Machine Learning algorithms to build classification and regression models elaborated on the basis of chemical composition as independent variable and a selected biological behaviour (i.e. anti-candida or anti-oxidant activity) as dependent variable to obtain Quantitative Composition-Activity Relationships to be used for the prediction of untested chemical mixtures as Essential Oils or similar.