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We decided to screen the National Cancer Institute diversity set I (NCIDS), a relatively modest database consisting of 1990 non-redundant, diverse chemical structures.
This is closely followed by compounds from the pharmacological diversity set and the DIVERSet™-EXP.
Specifically, the molecules in the NCI Diversity Set I were docked to each protein in the protein database.
As the test compound database we used the first 500 from the NCI diversity set II [7].
MDHO is the process by which an MS maintains connection with two or more access stations called a diversity set.
FC-HCS identified 15 compounds from the Diversity Set that significantly enhanced the ability of rituximab to inhibit cell cycle progression and induce apoptosis in lymphoma cells.
Similarity-based virtual screening was carried out to identify potential inhibitors utilizing NCI diversity set on ZINC database including natural products.
We used Retinol binding protein as example protein target and the first 500 compounds of the NCI diversity set II database as ligands.
Furthermore, if accumulating evidence drives the likelihood ratios to extremes, the range of functions in a diversity set will come to near agreement, near 0 or 1, on the values for posterior probabilities of hypotheses.
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First, 123 genotypically distinct and epidemiologically unrelated A. baumannii strains ('diversity set') were included.
The NCI Diversity Set and solid samples of cucurbitacins A, B, C, and I were kindly provided by the NCI.
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