Challenges associated with obtaining chemical structures of repurposing candidates from an online DB
What is it about?
There is an expanding amount of interest directed at the repurposing and repositioning of drugs. Internal company development code names assigned to chemical structures in official documentation on repurposing project tendering calls limits the ability to use the data for modeling purposes.
Why is it important?
This publication hopefully indicates that utilizing company code names is problematic for providing data of value for modeling and it is an enormous amount of work to try and source correct chemical compound structures based on these codes.
The following have contributed to this page: Dr Antony John Williams, Dr Sean Ekins, and Dr Christopher Southan