News

New updated Spark reagent databases now released monthly

In our April 2016 newsletter we announced the release new reagent databases derived from eMolecules building blocks. These new reagent databases closely relate Spark results to the chemistry that is immediately available to you and enable rapid assessment of reagent availability. An enhanced set of rules process reagents into R-groups and provide availability information from eMolecules directly within the Spark results table.

From October 2016, Spark users will benefit from monthly releases of updated eMolecules derived reagent databases. The rolling updates are intended to provide the very best availability information on the reagents that you wish to employ.

The updated databases can be downloaded now through the Spark Database update widget (instructions on the installing Spark databases page) or using a command line utility (such as wget, please contact us for details), but we do not recommend using a web browser.

The exact number of R-groups in each of the eMolecules derived reagent databases is available through the Spark interface with approximate numbers and physicochemical property profiles available on the Current Spark Databases page. Note that we have not updated the fragment databases derived from ZINC at this time. Should you require assistance updating your databases then please contact Cresset support.

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