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 V10.3 brings new fragment databases and new advanced filters to control the chemical and physico-chemical space on results. In this case study we apply these new features to the search for new terminal groups for a series of Dipeptidyl Peptidase IV (DPP-IV) inhibitors. Read more.

Web clips

• Using radial plots to visualize multiple parameters simultaneously
• Spark V10.3: Using Spark’s tile view and tags to rapidly assess scaffold hopping results

Dates for your diary

Nov. 21st, 2014 | Shanghai, China | International Symposium on Compound Design Technologies: Guiding better decisions in drug discovery Find out more and register free.
Mar. 19th, 2015 | Cambridge, MA, USA | Guiding Optimal Compound Design and Development: A one-day symposium
Jun. 3rd, 2015 | Cambridge, MA, USA | Cresset’s North American User Group Meeting
Jun. 18th, 2015 | Cambridge, UK | Cresset’s European User Group Meeting
Jun. 19th, 2015 | Cambridge, UK | Cresset’s software workshops
Oct. 6th, 2015 | Duxford, UK | UK QSAR

Academic access

Any post-graduate, PhD and post-doc students enrolled in a defined degree course are entitled to free one year named user licenses for Spark, Torch and Forge. Apply for a software bursary.