Analyzing data in Torch V10.4 to help you choose the best new molecule to progress to synthesis
In this blog post Tim Cheeseright explores some of the new additions in the latest release of Torch and improvements to some old favorites. Almost all of these features are also present in TorchLite – the free version of Torch. Read Analyzing data in Torch V10.4.
Bioisosterism – harder than you might think
Finding 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:
- Reduced cost:
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