BioModel Discussion Issue for eos6a08

[Zainab-ik]

Summary !!!

• BioModel Name: Jiménez-Luna2021 - Coloring molecules for plasma protein binding prediction

• BioModel Tag: Machine learning model, Ersilia

• Metadata Comments:
  The endpoints for this model is plasma protein binding prediction.

• Contributor:

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

• Curation status : manually curated

• Annotation file: here

[GemmaTuron]

Hi @Zainab-ik

We need to look if the data is open:
In the present study, data from six different studies,41−46 comprising 4119 drugs, were combined to construct a training
set for predicting the fraction bound (f b) in plasma.

[Zainab-ik]

Hi @GemmaTuron

For this model, there's no single data source or combined resources. All the data sources are scattered.
In ref 41 - supplementary information for the dataset - https://static-content.springer.com/esm/art%3A10.1007%2Fs11095-013-1023-6/MediaObjects/11095_2013_1023_MOESM4_ESM.xlsx
in ref 42 - there's a directory in the repository for the data - https://github.com/rtv2016/PPB/tree/master/data
in ref 43 - the dataset is not opened.
in ref 44 - dataset shown in the publication - https://www.sciencedirect.com/science/article/pii/S0006295202010742?via%3Dihub#TBL1
in ref 45 - dataset is not available
in ref 46 - dataset is in the supporting information - https://pubs.acs.org/doi/abs/10.1021/acs.molpharmaceut.8b00785

I've added the available datasets to the annotation

[GemmaTuron]

But if they are available we should cite the six data sources they use