Advanced search

Filter By:

Journal Check one or more journals to show results from those journals only.

Choose more journals

Article type Check one or more article types to show results from those article types only.
Subject Check one or more subjects to show results from those subjects only.
Date Choose a date option to show results from those dates only.

Custom date range

Clear all filters
Sort by:
Showing 1–2 of 2 results
Advanced filters: Author: Derek van Tilborg Clear advanced filters

  • van Tilborg et al. introduce a deep learning model trained to simultaneously predict bioactivity and reconstruct molecules. The model provides a principled measure of distribution shifts, experimentally validated by discovering active inhibitors for two clinically relevant kinase targets.

    • Derek van Tilborg
    • Luke Rossen
    • Francesca Grisoni
    ResearchOpen Access
    Nature Machine Intelligence
    Volume: 8, P: 575-587

  • Active deep learning is a promising approach to learn from low-data scenarios in drug discovery. This study illuminates key success factors of active learning and shows that it can boost hit discovery by up to sixfold over traditional methods.

    • Derek van Tilborg
    • Francesca Grisoni
    Research
    Nature Computational Science
    Volume: 4, P: 786-796