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  1. Deep Batch Active Learning for Drug Discovery

    This article has 14 authors:
    1. Michael Bailey
    2. Saeed Moayedpour
    3. Ruijiang Li
    4. Alejandro Corrochano-Navarro
    5. Alexander Kötter
    6. Lorenzo Kogler-Anele
    7. Saleh Riahi
    8. Christoph Grebner
    9. Gerhard Hessler
    10. Hans Matter
    11. Marc Bianciotto
    12. Pablo Mas
    13. Ziv Bar-Joseph
    14. Sven Jager
    This article has been curated by 1 group:
    • Curated by eLife

      eLife assessment

      This valuable study reports novel active learning batch selection methods that have been applied to optimization tasks related to ADMET and affinity properties relevant within the drug discovery field. While the evidence is solid, the paper could have benefited from a clearer and deeper description of methods as well as interpretation of the obtained models, and a wider comparison to existing methods. The article will be of general interest to scientist working in the field of drug discovery and, in general, to researchers within the fields of machine learning and data analysis.

    Reviewed by eLife

    This article has 8 evaluationsAppears in 1 listLatest version Latest activity
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