Dataset Information
Chi2019 - In Silico Prediction of PAMPA Effective Permeability Using a Two-QSAR Approach
Ontology highlight
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. Implementation of this model code by Ersilia is available here:
https://github.com/ersilia-os/eos97yu
SUBMITTER: Zainab Ashimiyu-Abdusalam
PROVIDER: MODEL2406030003 | biostudies-other |
SECONDARY ACCESSION(S): 31261723
REPOSITORIES: biostudies-other
Publications
In Silico Prediction of PAMPA Effective Permeability Using a Two-QSAR Approach.
International journal of molecular sciences 20190628 13
Oral administration is the preferred and predominant route of choice for medication. As such, drug absorption is one of critical drug metabolism and pharmacokinetics (DM/PK) parameters that should be taken into consideration in the process of drug discovery and development. The cell-free in vitro parallel artificial membrane permeability assay (PAMPA) has been adopted as the primary screening to assess the passive diffusion of compounds in the practical applications. A classical quantitative str ...[more]
