Chi2019 - In Silico Prediction of PAMPA Effective Permeability Using a Two-QSAR Approach

The authors provide a dataset of 200 small molecules and their experimentally measured permeability in a PAMPA assay. Using this data, we have trained a model that predicts the logarithm of the effective permeability coefficient.

Model Type: Predictive machine learning model.
Model Relevance: Predicts pampa-permeability.
Model Encoded by: Miquel Duran Frigola (Ersilia)
Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam

Implementation of this model code by Ersilia is available here:
https://github.com/ersilia-os/eos97yu