SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces

Sophia M. N. Hönig, Florian Flachsenberg, Christiane Ehrt, Alexander Neumann, Robert Schmidt 0002, Christian Lemmen, Matthias Rarey. SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces. Journal of Computer-Aided Molecular Design, 38(1):13, December 2024. [doi]

Abstract

Abstract is missing.