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 · 356 citations · Full text

Artificial Intelligence, Engineering, Machine Learning +18

Generative molecular design in low data regimes

Michaël Moret, Lukas Friedrich, Francesca Grisoni et al. · Nature Machine Intelligence · 2020 · 221 citations

Engineering, Molecular Property, Computational Biology +5

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 · 138 citations · Full text

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

Davide Boldini, Francesca Grisoni, Daniel Kühn et al. · Journal of Cheminformatics · 2023 · 103 citations · Full text

Ultrahigh-throughput screening enables efficient single-round oxidase remodelling

Aaron Debon, Moritz Pott, Richard Obexer et al. · Nature Catalysis · 2019 · 96 citations · Full text

Biochemistry, Natural Sciences, Biocatalysis +3