Workflows
What is a Workflow?Filters
Query
Created At
Updated At
Workflow type
KNIME3
Submitter
Kateřina Storchmannová3
Team
Chemical Data Lab3
Space
Independent Teams3
Creator
Kateřina Storchmannová2
Deprecated
No description specified
Deprecated
Current version of this workflow: https://workflowhub.eu/workflows/1109. Please use only with the new version. KNIME workflow to gather ChEMBL permeability data is availbale: https://workflowhub.eu/workflows/1169.
Work-in-progress
Article abstract
Permeability is an important molecular property in drug discovery, as it co-determines pharmacokinetics whenever a drug crosses the phospholipid bilayer, e.g., into the cell, in the gastrointestinal tract or across the blood-brain barrier. Many methods for the determination of permeability have been developed, including cell line assays, cell-free model systems like PAMPA mimicking, e.g., gastrointestinal epithelia or the skin, as well as the Black lipid membrane (BLM) and ...