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Optibrium and Enamine collaboration extends access to StarDrop commercial compound database

Enamine logo 30.7.18Optibrium logo 23.10.18Drug discovery software developer Optibrium has established a collaboration with chemical research organisation and compound supplier Enamine to provide users of its StarDrop software with easy access to EnamineStore, a database of commercially available screening compounds and chemical building blocks. StarDrop has been developed to connect seamlessly with a wide variety of internal and external informatics systems and this latest partnership further extends the amount of information available to users through StarDrop for small-molecule design, optimisation and data analysis in drug discovery.

Enamine has more than 3.3 million screening compounds and a further library of 7.8 million building blocks available to order from EnamineStore. The link enables StarDrop users not only to search for specific compounds, but also to find those that are structurally similar to their most interesting hits and leads or those that contain relevant substructures, thus providing a highly useful tool for researchers to quickly enrich the understanding of their chemical structure-activity relationships.

Users can apply all of StarDrop’s functionality to the compounds returned from Enamine, including in-silico predictive models and multi-parameter optimisation, thereby guiding the identification of objective-driven, high-quality compounds. The extended services are particularly relevant to the latest platform version, StarDrop 6.5, which includes a novel R-group clipping feature, enabling researchers to easily use the building blocks returned in the enumeration of virtual libraries to explore new compound ideas. Associated information, such as stock and cost for each building block, are linked with the enumerated compounds to facilitate building block ordering for synthesis of new compounds.

For further information about Optibrium and StarDrop visit www.optibrium.com and for further information about Enamine visit www.enamine.net

Last modified onWednesday, 24 October 2018 06:59