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Marine ecosystem forms an important source of unique compounds with high structural uniqueness and incomparable chemical properties.
While coffee contains caffeine, a stimulant that may temporarily increase heart rate and blood pressure in some people, coffee also contains hundreds of unique compounds and antioxidants that may confer health benefits.
The database contains 525573 unique compounds.
Finally, 49 exclusive scaffolds were derived representing 98 unique compounds.
At least 32 unique compounds have been tested.
In total there are 998,131 unique compounds and 70,850,163 SAR data points.
SureChem users can perform structure and keyword searches on more than 9 million unique compounds.
Limonoids are unique compounds occurring in the Meliaceae and Rutaceae family.
Furthermore, the results demonstrate that this method could expand the synthesis and application of these unique compounds.
Finally 856 of the 15,163 compounds were removed and the virtual screening was performed on 14,307 unique compounds.
The database contained 494,199 unique compounds and 8,084,694 end points in total (Additional file 1: Table S2).
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