BioinformaticsJournal of CheminformaticsPeer-reviewed
Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set
Eelke Bart Lenselink, Niels ten Dijke, Brandon J. Bongers…·Gerard J. P. van Westen
This study compares machine learning methods on a standardized ChEMBL dataset, finding deep neural networks outperform conventional methods in bioactivity prediction.
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