Open miquelduranfrigola opened 5 days ago
/approve
@miquelduranfrigola ersilia model respository has been successfully created and is available at:
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It was not possible to use the pickled models (python 2?) so I have decided to retrain the models following the notebooks provided by the author
Model Name
BBBP model tested on marine-derived kinase inhibitors
Model Description
Developed binary ensemble classifiers to predict the Blood-Brain Barrier (BBB) permeability of small organic compounds. Applied our best models to natural products of marine origin, able to inhibit kinases associated with neurodegenerative disorders.
Slug
bbbp-marine-kinase-inhibitors
Tag
Drug-likeness, Permeability
Publication
https://pubmed.ncbi.nlm.nih.gov/30699889/
Source Code
https://github.com/plissonf/BBB-Models
License
MIT