Lukas Friedrich

<i>De Novo</i> Design of Bioactive Small Molecules by Artificial Intelligence

Daniel Merk, Lukas Friedrich, Francesca Grisoni et al. · Molecular Informatics · 2018 · 365 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +12

Generative molecular design in low data regimes

Michaël Moret, Lukas Friedrich, Francesca Grisoni et al. · Nature Machine Intelligence · 2020 · 232 citations

Engineering, Computational Design, Computational Biology +11

Tuning artificial intelligence on the de novo design of natural-product-inspired retinoid X receptor modulators

Daniel Merk, Francesca Grisoni, Lukas Friedrich et al. · Communications Chemistry · 2018 · 142 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Practical guidelines for the use of gradient boosting for molecular property prediction

Davide Boldini, Francesca Grisoni, Daniel Kühn et al. · Journal of Cheminformatics · 2023 · 125 citations · Full text

Computing, Data Science, Medicinal Chemistry +17

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information

Wouter Heyndrickx, Lewis Mervin, Tobias Morawietz et al. · Journal of Chemical Information and Modeling · 2023 · 115 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17