Desktop Applications

Cresset’s desktop applications give you an intuitive, visually rich environment in which to use our science to progress your projects. We design our graphical user interfaces to be both intuitive and powerful. Wizards are available to setup and run routine experiments while the advanced users can delve into the heart of the scoring functions to change key experimental parameters. Parallel processing brings all the power of modern multi-cpu computers to your fingertips, and most of our applications can use remote calculation engines for unbridled speed. Stunning graphics make analyzing and communicating your results to team members and customers quick and simple.

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FieldStere helps you shorten your lead optimization cycles by choosing the best next synthesis, fine-tuning portions of lead molecules and enabling scaffold switching to expand into new chemical space.

FieldStere finds bioisosteric lead molecules that share the same biological activity, but which have a range of different core scaffolds. FieldStere’s easy-to-use interface quickly generates a range of potential lead molecules from an initial 2D structure and helps you choose the most innovative and tractable leads with the properties you need. Because FieldStere bases its comparisons on Fields, not simply on 2D structure, it can accurately identify structurally diverse bioisosteres with or without knowledge of the target protein’s structure.

FieldScreen searches through millions of known structures to find compounds that are likely to have similar activity regardless of structural similarity. It is installed and runs on a Linux cluster but is operated through a web-browser, enabling access from any platform and multiple locations.

FieldAlign gives you a detailed understanding of the observed activity, ADME and physicochemical properties of your molecules, and provides you with knowledge you can use to fine-tune specific properties into your leads.

FieldAlign is a powerful design and 3D Structure Activity Relationship (SAR) tool for Computational and Medicinal Chemists that shows where active compounds are similar and how they differ. Given the 3D structure of an active molecule and a series of 2D compounds (pasted or imported from your favorite drawing package), FieldAlign will compare the molecules’ Fields to generate the best 3D alignment for your compounds.

FieldTemplater enables you to understand how your active compounds interact with their protein target and which parts of those active molecules are involved in binding even when you don’t have structural information for your target.

Working from just a few 2D structures of known active ligands, FieldTemplater generates a series of conformations that the ligands might adopt under physiological conditions. It analyzes these conformations to find sets that show a high molecular Field similarity (and hence have similar shape/binding properties).Where all the ligands with a common activity align well, it is very likely that this is the bioactive conformation. The similarities and differences in the sets provide insights into how active ligands bind to a common active site.

FieldView is Cresset’s popular molecular Fields visualizer, available free to all Windows, Linux and Mac users, whether academic or industrial. It is a powerful molecular viewer/editor that is designed to show molecules with their associated Field patterns and physicochemical properties. It provides a richer, more informative view of how molecules are likely to behave in biological systems and has been used by several companies to give a deep understanding of complex SAR.

FieldView enables you to load your structures from SDF and MOL2 files as well as showing results from all Cresset applications. You can import and compare up to 10,000 compounds at once or copy and paste them into FieldView from your favorite drawing package.