BIOINFORMATICS

FieldStere v2.0

FieldStere v2.0 - Cresset

16 March 2010

Cresset

Cresset has released a new version of its FieldStere bioisostere generator. FieldStere delivers shorter lead optimisation 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.

The software 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 and 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.

Click here to find out more