BioModel Discussion Issue for eos43at

ersilia-os / eos43at

Explainable AI applied to hERG blockade

GNU General Public License v3.0

2 stars 2 forks source link

Closed Zainab-ik closed 1 month ago

Zainab-ik commented 5 months ago

Summary !!!

BioModel Name: Jiménez-Luna2021 - Coloring molecules for for hERG blockade
BioModel Tag: Machine learning model, Ersilia
Metadata Comments: The endpoints for this model is for hERG blockade. hERG blockade/inhibition has to do with Toxicity not ADME, right?
Contributor:

roles Names

Curator @Zainab-ik

Code contributor @miquelduranfrigola

Reviewer @GemmaTuron
Curation status : manually curated
Annotation file: here

GemmaTuron commented 5 months ago

Let's get the data source: For this endpoint, data compiled by Sato et al. was used,49

I agree ADME does not fit with cardiotoxicity, the end point is therefore Toxicity

Zainab-ik commented 5 months ago