BioModel Discussion Issue for eos24jm

[Zainab-ik]

Summary !!!

• BioModel Name: Khan2022 - QcrB Inhibition Prediction with Machine Learning Protocol

• BioModel Tag: fair AIML, Machine learning model, Ersilia

• Metadata Comments:

  1. is QcrB a protein complex?
  2. for this model, there'd be 3 outputs; actively inhibits QcrB, moderately inhibits and doesn't inhibit at all. What should best describe the metadata output; growth inhibition or the activity classes?
  3. 8 ML algorithm was built for this prediction, the ecfp6-SVM is the best model, and from the source repository, that's the model deployed. I'd be adding only SVM as the metadata, right?

• Contributor:

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

• Curation status : manually curated

• Annotation file: here

[GemmaTuron]

Is QcrB a protein complex? Yes, it is a cytochrome complex, the target of the model

For this model, there'd be 3 outputs; actively inhibits QcrB, moderately inhibits and doesn't inhibit at all. What should best describe the metadata output; growth inhibition or the activity classes? That is a good question, I don not have a clear answer, I guess Active Inactive would suffice?

8 ML algorithm was built for this prediction, the ecfp6-SVM is the best model, and from the source repository, that's the model deployed. I'd be adding only SVM as the metadata, right? Yes, exactly

[GemmaTuron]

The metadata looks good! Is there any validation in the lab for the model?

[Zainab-ik]

The metadata looks good! Is there any validation in the lab for the model?

There's no experimental validation.

[GemmaTuron]

Please @Zainab-ik double check that all the metrics listed are used

[Zainab-ik]

Please @Zainab-ik double check that all the metrics listed are used

All metrics are used.

[GemmaTuron]

then let's add it to biomodels

[Zainab-ik]

then let's add it to biomodels

On it.