BioModel Discussion Issue for eos31ve

[Zainab-ik]

Summary !!!

• BioModel Name: Shah2020 - Predicting liver microsomal stability of small molecules.

• BioModel Tag: fair AIML, Machine learning model

• Metadata Comments:

  1. This is also same publication as eos9yy1
  2. NCATS doesn't have an HLM model, but an HLC, can you clarify please?

• Contributor:

  roles	Names
  Curator	@Zainab-ik
  Code contributor	Pauline-Banye
  Reviewer	@GemmaTuron

• Curation status : manually curated

• Annotation file: here

[GemmaTuron]

Hi @Zainab-ik If you look into their repo they actually have an HLM (Human Liver Microsomal Stability) Model https://github.com/ncats/ncats-adme/tree/master

It's just not deployed through their website 'cause its newer

[Zainab-ik]

Thanks for the clarification.

[Zainab-ik]

Hi @GemmaTuron Can you review this also. I guess you missed it.

[GemmaTuron]

thanks for pointing this one out

Quick question, sometimes you use AUROC and others AUC-ROC, they are the same so better stick to one?

[GemmaTuron]

also I am not sure this definition of stable applies here: https://www.ebi.ac.uk/ols4/ontologies/pato/classes?obo_id=PATO%3A0015026

We are referring to whether a molecule is metabolised, not if it is chemically stable

[Zainab-ik]

also I am not sure this definition of stable applies here: https://www.ebi.ac.uk/ols4/ontologies/pato/classes?obo_id=PATO%3A0015026

We are referring to whether a molecule is metabolised, not if it is chemically stable

https://identifiers.org/NCIT:C19536 this should describe it better.

[GemmaTuron]

That looks fine, but if we add it we need to add it to all metabolism related models

[Zainab-ik]

Metabolism metadata is added to the CYP models. NCATS Stability Models; eos5505, eos9yy1 - I'd update with the rest of these NCATS models.