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Molecules (Basel, Switzerland)|July 2, 2020
Verification of Chromatographic Profile of Primary Essential Oil of Pinus sylvestris L. Combined with Chemometric AnalysisMartina Allenspach, Claudia Valder, Daniela Flamm, et al.Environmental Research|May 7, 2016
Expert QSAR system for predicting the bioconcentration factor under the REACH regulationFrancesca Grisoni, Viviana Consonni, Marco Vighi, et al.Journal of Medicinal Chemistry|June 15, 2018
Computer-Assisted Discovery of Retinoid X Receptor Modulating Natural Products and Isofunctional MimeticsDaniel Merk, Francesca Grisoni, Lukas Friedrich, et al.Environment International|January 14, 2016
Investigating the mechanisms of bioconcentration through QSAR classification treesFrancesca Grisoni, Viviana Consonni, Marco Vighi, et al.Medchemcomm|August 29, 2018
Scaffold hopping from synthetic RXR modulators by virtual screening and de novo designDaniel Merk, Francesca Grisoni, Lukas Friedrich, et al.Toxicology and Applied Pharmacology|September 22, 2020
NURA: A curated dataset of nuclear receptor modulatorsCecile Valsecchi, Francesca Grisoni, Stefano Motta, et al.Bioinformatics Advances|April 2, 2025
peptidy: a light-weight Python library for peptide representation in machine learningRıza Özçelik, Laura van Weesep, Sarah de Ruiter, et al.Journal of Cheminformatics|August 28, 2023
Practical guidelines for the use of gradient boosting for molecular property predictionDavide Boldini, Francesca Grisoni, Daniel Kuhn, et al.Angewandte Chemie (International Ed. in English)|May 13, 2025
Deep Supramolecular Language Processing for Co-Crystal PredictionRebecca Birolo, Rıza Özçelik, Andrea Aramini, et al.Medchemcomm|October 6, 2018
Lipophilicity prediction of peptides and peptide derivatives by consensus machine learningJens-Alexander Fuchs, Francesca Grisoni, Michael Kossenjans, et al.Pageof 8