biostudies-otherUnknownZainab Ashimiyu-AbdusalamAdvances in Neural Information Processing Systems 33 (NeurIPS 2020)https://www.ebi.ac.uk/biostudies/studies/MODEL2406050008biostudies-other10.48550/arXiv.2007.02835Amna AliZainab Ashimiyu-AbdusalamfalseRong2020 - Grover-bbbp: Prediction of the Blood-brain barrier penetration.<p>This model predicts the Blood-Brain Barrier (BBB) penetration potential of small molecules using as training data the curated MoleculeNet benchmark containing 2000 experimental data points. It has been trained using the GROVER transformer.</p><p><normal>Model Type:</normal> Predicitive machine learning model.<br><normal>Model Relevance:</normal> Predicts Probability that a molecule crosses the blood brain barrier.<br><normal>Model Encoded by:</normal> Amna Ali (Ersilia)<br><normal>Metadata Submitted in BioModels by:</normal> Zainab Ashimiyu-Abdusalam</p><p>Implementation of this model code by <a href="https://ersilia.io/">Ersilia</a> is available here: <br><a href="https://github.com/ersilia-os/eos1amr">https://github.com/ersilia-os/eos1amr</a></p><img src="https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png" alt="Ersilia Logo" width="150">2024-06-05T00:00:00Z2025-07-14T17:01:25.199Z2025-03-31T13:26:51.014ZMODEL2406050008C15440710.48550/arXiv.2007.02835eos1amr