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. Tile view of results This feature was leaked…

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International Symposium on Compound Design Technologies: Guiding Better Decisions in Drug Discovery, Shanghai, China

Cambridge, UK – 16th October 2014 – Cresset and Optibrium, providers of chemistry software and services, today announced the ‘International Symposium on Compound Design Technologies: Guiding Better Decisions in Drug Discovery’. The symposium will be held on Friday 21st November 2014 at the British Centre in Shanghai, China. Of particular interest to chemistry and ADMET/DMPK…

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Cresset donates to Novartis’ TExts to Sub-Saharan Africa (TESSA) project

Cambridge, UK – 29th September 2014 – Cresset, innovative provider of computational chemistry software and services, has provided a donation to Novartis Institutes for Biomedical Research (NIBR) in support of their TExts to Sub-Saharan Africa (TESSA) project. This project donates textbooks to Kenyan university libraries. Dr. Lewis Whitehead, computational medicinal chemist at NIBR says, “Textbooks…

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September 2014 Newsletter

Spark sneak peek The next version of Spark (V10.3), Cresset’s bioisostere finder and idea generator, will be released in the next couple of weeks. In this sneak peek we take a look at a few of the exciting new features that have been requested. Read more. Keyboard shortcuts for Spark Building on last month’s keyboard…

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Ligand design using Torch and Spark in tandem – molecule growing

Lead optimization calls on the experience and intuition of team members to drive towards the project goals. However, using Spark (for bioisostere replacement) in addition to Torch provides additional inspiration that may not have been considered. This web clip shows how iterative design can be done and assessed within Cresset’s software by using Spark to…

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