🦠 Model Request: BBBP model tested on marine-derived kinase inhibitors

[miquelduranfrigola]

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

[miquelduranfrigola]

/approve

[github-actions[bot]]

New Model Repository Created! 🎉

@miquelduranfrigola ersilia model respository has been successfully created and is available at:

🔗 ersilia-os/eos3mk2

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[miquelduranfrigola]

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