Cresset has released version 2.0 of its Fieldstere bioisostere generator.
Fieldstere is said to deliver shorter lead-optimisation cycles to computational and medicinal chemists by enabling them to select the best syntheses, fine-tune portions of lead molecules and scaffold hop to expand into new areas.
Fieldstere v2.0 is a 'cloud-enabled' application that supports 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, according to Cresset.
Fieldstere can also be run as a traditional desktop application, allowing users without a large computing infrastructure to benefit from the same functionality.
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 and patent applications.
'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.
