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Journal of Cheminformatics|November 11, 2022
Tuning gradient boosting for imbalanced bioassay modelling with custom loss functionsDavide Boldini, Lukas Friedrich, Daniel Kuhn, et al.ACS Central Science|April 29, 2024
Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug DiscoveryDavide Boldini, Lukas Friedrich, Daniel Kuhn, 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.Journal of Chemical Information and Modeling|October 23, 2024
Machine Learning-Driven Data Valuation for Optimizing High-Throughput Screening PipelinesJoshua Hesse, Davide Boldini, Stephan A SieberJournal of Chemical Information and Modeling|June 5, 2024
Synergizing Chemical Structures and Bioassay Descriptions for Enhanced Molecular Property Prediction in Drug DiscoveryMaximilian G Schuh, Davide Boldini, Stephan A SieberJournal of Cheminformatics|February 5, 2025
Barlow Twins deep neural network for advanced 1D drug-target interaction predictionMaximilian G Schuh, Davide Boldini, Annkathrin I Bohne, 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.Chemmedchem|November 25, 2025
Improving Absorption, Distribution, Metabolism, and Excretion Property Predictions by Integrating Public and Proprietary DataPeer Schliephacke, Daniel Kuhn, Lukas FriedrichJournal of Chemical Information and Modeling|December 22, 2023
AIDDISON: Empowering Drug Discovery with AI/ML and CADD Tools in a Secure, Web-Based SaaS PlatformAndrew Rusinko, Mohammad Rezaei, Lukas Friedrich, et al.Journal of the American Chemical Society|September 11, 2008
Beta-lactams as selective chemical probes for the in vivo labeling of bacterial enzymes involved in cell wall biosynthesis, antibiotic resistance, and virulenceIsabell Staub, Stephan A SieberPageof 26