Open Zainab-ik opened 4 months ago
indeed, good question. Let's just use the QSAR notation as it is more standard!
- 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.
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:
Curation status : manually curated
Annotation file: here