September 2015 newsletter from Cresset


News on software and services for small molecule discovery and design.


Analyzing data in Torch V10.4 to help you choose the best new molecule to progress to synthesis

torch_10.4_tableIn this blog post Tim Cheeseright explores some of the new additions in the latest release ofTorch and improvements to some old favorites. Almost all of these features are also present inTorchLite – the free version of Torch. Read Analyzing data in Torch V10.4.

Bioisosterism – harder than you might think

spark_product_space_exampleFinding bioisosteres sounds like a simple problem: choose the part of the molecule that you want to replace, find replacements that fit the hole and prioritize those that look most like the removed part. However, it’s much more complicated than that! You have to consider conformation, shape, steric strain, electronic effects, hybridization changes and more. In the blog post Bioisosterism – harder than you might think Mark Mackey explains how Spark handles all of these.

New academic licensing options

Cresset actively supports academic research through flexible licensing terms and software bursaries. Licenses have been created specifically to facilitate internal academic research within a university. The following licensing options are available:

  • Free:
    • Teaching
    • Bursary
  • Reduced cost:
    • Research
    • Department

Find the right academic license for you

Upcoming events

6 October | UK QSAR Autumn Meeting, Duxford, UK
27 October | Chem-Bio Informatics Society Annual Meeting, Tokyo, Japan
8 November | 11th German Conference on Cheminformatics, Fulda, Germany
27 November | Molecular Graphics and Modelling Society young Modellers’ Forum, London, UK

See all upcoming events

To read more information, click here.

Computational solutions for drug discovery