Machine Learning-Driven Data Valuation for Optimizing High-Throughput Screening Pipelines. - Joshua Hesse; Davide Boldini; Stephan A. Sieber (J. Chem. Inf. Model., 2024)

AI-guided Antibiotic Discovery Pipeline from Target Selection to Compound Identification. - Maximilian G. Schuh; Joshua Hesse; Stephan A. Sieber (CoRR, 2025)