Cresset today announced the release of a new version of its FieldStere bioisostere generator. FieldStere delivers shorter lead optimization cycles to computational and medicinal chemists by enabling them to choose the best syntheses, to fine-tune portions of lead molecules and to scaffold hop to expand into new areas of chemical space.
FieldStere V2.0 is the first in Cresset’s new generation of ‘cloud enabled’ applications, which support parallel, distributed computing by default. This brings real-time assessment of new directions for medicinal chemistry, as well as the patentability and in-licensing potential of drug candidates, a step closer. FieldStere can also be run as a traditional desktop application, allowing users without a large computing infrastructure to benefit from the same functionality.
“By re-engineering the FieldStere concept, we have made it easier to deploy in a corporate distributed computing or workflow environment, as well as making it faster, more memory efficient and more accurate” commented Tim Cheeseright, Products Director at Cresset.
FieldStere V2.0 introduces more flexible licensing and new features to improve productivity. A command line interface supports scripting and workflow systems, while FieldStere databases now have automatic fragment de-duplication and time-stamping to support results tracking in ELN & patent applications. New ‘Bio-Isostere Factor’ scores help to clearly differentiate the effect of replacement moieties, and potentially unstable chemistries are now automatically highlighted in the results table. FieldStere also enables results to be exported as PDFs and copied in 2D or 3D for pasting into drawing applications or presentations.