Cresset, innovative provider of chemistry software and services, announces the release of a new version of its computational chemistry workbench forgeV10. This release is the first major update following the launch of forgeV10 in 2012 and brings new features and many improvements.
New in forgeV10.1 are:
· flexible handling of multiple reference molecules giving improved results during analysis of structure activity relationships.
· enhanced capabilities for viewing molecules in 3D.
· ability to download protein crystal structure files and rapidly split them into protein and ligand.
“forgeV10 has been an instant hit with our customers. They use it for gaining deep insights into structure activity relationships, for virtual screening on desktop hardware and to develop detailed pharmacophores for the design of compounds and compound libraries,” says Dr Tim Cheeseright, Cresset’s Director of Products.
He adds, “We have had many customer requests for new features, particularly for more control over how molecules are compared. We have listened carefully to our customers and are proud to introduce significant scientific enhancements in forgeV10.1, as well as streamlining the design of new compounds and interpretation of complex SAR.”
forgeV10 is a powerful computational suite for understanding SAR and design. For more information visit www.cresset-group.com/forge, or download a free demonstration at http://www.cresset-group.co.uk/cgi-bin/demo.cgi/.
Cresset develops software for calculating and comparing the molecular field characteristics of chemical compounds. Cresset also offers consultancy services which enable companies to outsource computational chemistry work to achieve high value, on-demand expertise, particularly in the areas of library design, virtual screening, scaffold hopping, lead optimization and patent analysis.
Cresset’s field technology uses the surface properties of molecules to evaluate their activities and properties, rather than relying on 2D structure similarity, which enables Cresset’s users to find more interesting, novel and relevant results than other methods. This field technology provides a smarter, structure independent way of hit-finding, lead switching and lead optimization in drug discovery and other chemistry-based research projects. Cresset’s field technologies have been successfully applied to a very wide range of target classes, with and without structural information, on over 100 projects for major pharmaceutical and biotechnology companies. www.cresset-group.com
For further information on the complete range of software and services available from Cresset, please visit www.cresset-group.com, follow Cresset on Twitter (@cressetgroup) or join their LinkedIn group.