Deep Batch Active Learning for Drug Discovery
Michael Bailey, Saeed Moayedpour, Ruijiang Li, Alejandro Corrochano-Navarro, Alexander Kötter, Lorenzo Kogler-Anele, Saleh Riahi, Christoph Grebner, Gerhard Heßler, Hans Matter, Marc Bianciotto, Pablo Mas, Ziv Bar‐Joseph, Sven Jäger
The paper develops two novel active learning batch selection methods for drug discovery, showing significant improvements over existing methods across multiple datasets.
bioRxiv · Jul 26, 2023 · PreprintBioinformatics