deepFPlearn +: enhancing toxicity prediction across the chemical universe using graph neural networks

Kyriakos Soulios, Patrick Scheibe, Matthias Bernt, Jörg Hackermüller, Jana Schor. deepFPlearn +: enhancing toxicity prediction across the chemical universe using graph neural networks. Bioinformatics, 39(12), December 2023. [doi]

Abstract

Abstract is missing.