Each month we release updated Spark databases derived from eMolecules’ building blocks. These have proved very popular with our customers. This month a small change is being made to the databases in that we now only include reagents that are in eMolecules’ Tiers 1, 2, and 3. These correspond to the most accessible reagents and should be a good source of inspiration for R-group design experiments in Spark.
Why the change?
The number of reagents that are now listed as available has grown significantly. In the last couple of months we have been processing around 650,000 reagents but this month that number is close to 1.1 million. Unfortunately the majority of this increase is in eMolecules’ Tier 4 category with availability in the multiple-weeks time frame. We felt that these additional reagents were largely noise in the majority of Spark experiments. As a result we have slimmed the downloads, search times and results by only including Tiers 1, 2 and 3. These still encompass 295,000 reagents and hence provide you with an excellent source of readily available R-group bioisosteres.
If you are interested in the Tier 4 reagents, please contact Cresset support to discuss the options.
Installing the Spark reagent databases is easy using the built in Spark database update facility.