One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome. - Alice Capecchi; Daniel Probst; Jean-Louis Reymond (J. Cheminformatics, 2020)

Populating Chemical Space with Peptides Using a Genetic Algorithm. - Alice Capecchi; Alain Zhang; Jean-Louis Reymond (J. Chem. Inf. Model., 2020)

Classifying natural products from plants, fungi or bacteria using the COCONUT database and machine learning. - Alice Capecchi; Jean-Louis Reymond (J. Cheminformatics, 2021)