Development and evaluation of two-parameter linear free energy models for the prediction of human skin permeability coefficient of neutral organic chemicals

Development and evaluation of two-parameter linear free energy models for the prediction of human skin permeability coefficient of neutral organic chemicals

Abstract The experimental values of skin permeability coefficients, required for dermal exposure assessment, are not readily available for many chemicals. The existing estimation approaches are either less accurate or require many parameters that are not readily available. Furthermore, current estim...

Full description

Bibliographic Details
Main Authors: Sana Naseem, Yasuyuki Zushi, Deedar Nabi
Format: Article
Language:English
Published: BMC 2021-03-01
Series:Journal of Cheminformatics
Subjects:
Skin permeability
Linear Free Energy Relationship (LFER) Modeling
Abraham solvation model
GC × GC model
Complex mixtures
Dermal Permeability Coefficient Program (DERMWIN™)
Online Access:https://doi.org/10.1186/s13321-021-00503-5

Internet

https://doi.org/10.1186/s13321-021-00503-5

Similar Items