Regression-Based Active Learning for Accessible Acceleration of Ultra-Large Library Docking. - Egor Marin; Margarita Kovaleva; Maria Kadukova; Khalid Mustafin; Polina Khorn; Andrey Rogachev; Alexey Mishin; Albert Guskov; Valentin Borshchevskiy (J. Chem. Inf. Model., 2024)