Associated challenges with the divergent expansions of public and commercial sources of molecules
What is it about?
The availability of structures and linked bioactivity data in databases is powerfully enabling for drug discovery and chemical biology. We review some of the issues with the divergent expansions of public and commercial sources of chemical structures.
Why is it important?
We address a range of issues raised by the challenges faced resolving a series of "probe compounds" from the National Institutes of Health. We also highlight the confounding of prior-art searching by virtual compounds which could impact the composition of matter patentability of a new medicinal chemistry lead. Finally, we propose some potential solutions
The following have contributed to this page: Dr Antony John Williams, Dr Sean Ekins, Dr Christopher Southan, Dr Nadia Litterman, and Dr Christopher A Lipinski