BioModel Discussion Issue for eos9tyg

[Zainab-ik]

Summary !!!

• BioModel Name: Sun2017 - predictive and interpretable models for PAMPA permeability 7.

• BioModel Tag: fair AIML, Machine learning model

• Metadata Comments: From Original PAMPA publication;

The PAMPA (which is a 7.4) is referred to as a QSPR model (Quantitative Structure-Permeability Relationship) while PAMPA 5.O is referred to as a QSAR model. What's the difference between a QSPR and a QSAR model?. Both are classification models predicting permeability which is a biological activity and that falls under a QSAR category. I just want to understand if it's a QSAR (note; structure-permeability not structure-property)

• Contributor:

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

• Curation status : manually curated

• Annotation file: here

[GemmaTuron]

indeed, good question. Let's just use the QSAR notation as it is more standard!

[GemmaTuron]

• The publication should be updated: https://slas-discovery.org/article/S2472-5552(22)06765-X/fulltext, can you open a PR
• The output should be good / poor permeability as well to match other models

[Zainab-ik]

• The publication should be updated: https://slas-discovery.org/article/S2472-5552(22)06765-X/fulltext, can you open a PR

Opened here - https://github.com/ersilia-os/eos9tyg/pull/10

• The output should be good / poor permeability as well to match other models

This is updated.