BIOINFORMATICS

FieldStere v3.0

1 November 2011

Cresset

Cresset has released v3.0 of its bioisostere replacement tool FieldStere, which uses field-point technology, together with a database of molecular fragments, to help guide drug discovery projects and generate new intellectual property.

Version 3.0 includes updates to the science and user interface, and constitutes the most significant scientific update to FieldStere since its introduction.

FieldStere V3.0 now enables researchers using fragment based drug discovery protocols to grow initial leads computationally, giving significant boosts to productivity and diversity. Importantly, FieldStere works both on projects operating with protein crystallography support and on those without these resources, an area currently under supplied with computational techniques. Unlike traditional pharmacophore approaches, FieldStere uses molecular interaction with proteins as a core descriptor rather than 2D structure, enabling diverse active molecules to be described as similar.

 

 

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