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]

Authors

Kyriakos Soulios

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Patrick Scheibe

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Matthias Bernt

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Jörg Hackermüller

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Jana Schor

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