Dataset Information

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

ABSTRACT: 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

SUBMITTER: Zainab Ashimiyu-Abdusalam