On Improving Graph Neural Networks for QSAR by Pre-training on Extended-Connectivity Fingerprints

Fuente: arXiv
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Bibliographic Details
Main Authors: Money-Kyrle, Sam, Dablander, Markus, Hanser, Thierry, Werner, Stephane, Deane, Charlotte M., Morris, Garrett M.
Format: Preprint
Published: 2026
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