BioModel Discussion Issue for eos1af5

ersilia-os / eos1af5

Explainable AI for Caco-2 cell wall permeability

MIT License

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BioModel Discussion Issue for eos1af5 #15

Open Zainab-ik opened 3 months ago

Zainab-ik commented 3 months ago

Summary !!!

BioModel Name: Jiménez-Luna2021 - Coloring molecules for Caco-2 cell permeability.
BioModel Tag: Machine learning model, Ersilia
Metadata Comments: The endpoints for this model is for Caco-2 cell permeability.
Contributor:

roles Names

Curator @Zainab-ik

Code contributor @miquelduranfrigola

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

roles	Names
Curator	@Zainab-ik
Code contributor	@miquelduranfrigola
Reviewer	@GemmaTuron

GemmaTuron commented 3 months ago

Let's check if the data is available in the cited publications: For this endpoint, passive permeability data from 239 compounds were collected from two independent studies.47,48

Zainab-ik commented 3 months ago

Reference 47 - dataset in supplementary information here - https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5744993/bin/pone.0190319.s001.docx

Reference 48 - dataset in supplementary information - https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4655101/bin/peerj-03-1405-s001.xls

Both added in annotation