Proximagen licenses Cresset’s computational tools for scaffold identification and bioisostere replacement

Cambridge, UK – 18th November 2014 – Cresset, innovative provider of computational chemistry software and services, is pleased to announce that Proximagen, a company focused on the development and commercialization of novel therapeutics for diseases of the central nervous system (CNS), has licensed Cresset’s Forge and Spark software. These applications provide extensive capabilities in SAR…

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Monsanto presents Tioxazafen which was discovered with the help of Cresset’s software

At the IUPAC 2014 meeting in San Francisco, Monsanto presented ‘Tioxazafen: A new broad-spectrum seed treatment nematicide’ which was discovered with the help of Cresset’s software. Read abstract (page 9).

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Unprecedented control over scaffold hopping searches with Spark V10.3

New fragment databases give 25% increase in available chemical space Cambridge, UK – 30th October 2014 – Cresset, provider of computational chemistry software and services, announces the release of Spark V10.3 for scaffold hopping and R-group exploration. Spark finds biologically equivalent replacements for sections of an active molecule, generating new ideas and helping you escape…

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October 2014 newsletter

Spark V10.3 released We are delighted to announce the release of Spark V10.3, Cresset’s idea and bioisostere generator. This release of Spark brings many enhancements, including: Tile view of results, enhanced protein support, improved control over product minimization, SMARTS filtering of fragments and results, new databases of fragments and reagents. Read more. Case study Spark…

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Web clip: Using radial plots to visualize multiple parameters simultaneously

Optimizing the physical properties of molecules is a key goal in most drug discovery or agrochemical projects. Molecules must be active but also need to reach the site of action, at the correct concentration and for long enough (but not too long) to be useful. In a spreadsheet these properties are listed as numerical values…

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