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Nanoscale Advances|April 14, 2023
Identification of fluorescently-barcoded nanoparticles using machine learningAna Ortiz-Perez, Cristina Izquierdo-Lozano, Rens Meijers, et al.Scientific Reports|May 13, 2022
Identification of novel off targets of baricitinib and tofacitinib by machine learning with a focus on thrombosis and viral infectionMaria L Faquetti, Francesca Grisoni, Petra Schneider, et al.Journal of Cheminformatics|March 26, 2024
Effectiveness of molecular fingerprints for exploring the chemical space of natural productsDavide Boldini, Davide Ballabio, Viviana Consonni, et al.Briefings in Bioinformatics|January 9, 2025
Integrating genetic algorithms and language models for enhanced enzyme designYves Gaetan Nana Teukam, Federico Zipoli, Teodoro Laino, et al.Frontiers in Chemistry|August 10, 2017
A QSTR-Based Expert System to Predict Sweetness of MoleculesCristian Rojas, Roberto Todeschini, Davide Ballabio, et al.Angewandte Chemie (International Ed. in English)|June 18, 2025
The Chemistry and Biology of the Tetrodotoxin Natural Product FamilyBenedikt Nißl, Marcel Mülbaier, Francesca Grisoni, et al.Digital Discovery|August 21, 2025
Identifying 14-3-3 interactome binding sites with deep learningLaura van Weesep, Rıza Özçelik, Marloes Pennings, et al.Journal of Medicinal Chemistry|May 31, 2023
De Novo Design of Nurr1 Agonists via Fragment-Augmented Generative Deep Learning in Low-Data RegimeMarco Ballarotto, Sabine Willems, Tanja Stiller, et al.Chemmedchem|April 22, 2018
Designing Anticancer Peptides by Constructive Machine LearningFrancesca Grisoni, Claudia S Neuhaus, Gisela Gabernet, et al.Journal of Molecular Modeling|April 7, 2019
De novo design of anticancer peptides by ensemble artificial neural networksFrancesca Grisoni, Claudia S Neuhaus, Miyabi Hishinuma, et al.Pageof 8