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Downloads and Upgrades: SZMAP 1.2, Helium Data Workbench, and MedChem Studio


OpenEye has released SZMAP v1.2.

This release adds MPI multiprocessing support along with minor bug fixes, and other improvements.

Ceiba Solutions has released the community edition of its Helium Data Workbench.
This free version of Helium provides more than 50 analytical functions to bring public life science data directly into Microsoft Excel, TIBCO Spotfire, and the Helium Windows 8 app. Users can also incorporate new plug-ins to data services and applications and share recommendations for new connections with others in the Helium community. The tool also includes connections to chemistry and pharmacology data services, including KEGG, PubChem, and CheMBL.

Simulations Plus has released a new version of MedChem Studio, its chemical data mining and de novo design software platform.

The release includes capabilities such as enhanced matched molecular pair analyses which lets users compare the effects of small structure changes on a wide variety of properties, in turn enabling users to see how different substituents at specific locations on a scaffold affect the properties of the molecules. The software also features an equation solver which enables chemists to calculate new functions that relate multiple properties in user-defined ways, among other updates.