Egor Marin, Margarita Kovaleva, Maria Kadukova, Khalid Mustafin, Polina Khorn, Andrey Rogachev, Alexey Mishin, Albert Guskov, Valentin Borshchevskiy. Regression-Based Active Learning for Accessible Acceleration of Ultra-Large Library Docking. Journal of Chemical Information and Computer Sciences, 64(7):2612-2623, 2024. [doi]
Abstract is missing.