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(B) Sparteine, one of the returned compounds.
Although of great practical importance, we did not require that the returned compounds had to be mapped to their chemical structures or database identifiers.
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Scientific articles associated with the returned compound records can be accessed via the Entrez Links, which are available under the "Find related data" menu (for multiple records) or from a link for individual compound records.
In the database search of the FXR-actives set, the 3bej-1 only returned compound 5-related hits.
However, amongst a given number of active compounds the Cresset and OpenEye electrostatic methods contained more scaffolds and returned ranked compounds with greater diversity.
The α1A-AR pharmacophore returned 11 compounds with predicted picomolar activity.
The Target2Compounds workflow accepts a protein target, specified with a UniProt accession number, and returns compounds that this target binds with an affinity better than a specified cutoff.
The Target2Compound workflow takes as input the UniProt ID s) of one or more proteins, and returns compounds known to bind the corresponding protein(s) with an affinity (in nanomolar) above a user-specified threshold.
He failed to qualify, and returned to compound, where he was more comfortable.
Between 2005 and 2013, firms with more than one woman on the board returned a compound of 3.7% a year over those with no women.
It has returned a compound annual 13% since going public in 1986.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com