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This unique fluorescent probe was successfully applied to the screening of a kinase focused compound library.
In this work, five focused compound libraries based on the chemical structure of MI-2 are designed and synthesized.
In each case, three to four times more hits were obtained from the focused compound set than from the random compound set.
Here we report the construction of a focused compound library of 1,2-benzisoselenazol-3(2H -one derivatives which comprise a total of forty-six candidate compounds.
In the context of virtual screening calculations, a multiple fingerprint-based metric is applied to generate focused compound libraries by database searching.
Contemporary small molecule drug discovery often relies on high-throughput screening (HTS) of either structurally diverse or mechanistically focused compound library sets to identify hits that have the potential for multiparameter optimization against biological targets of interest.
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To increase high-throughput screening efficiency, virtual high-throughput screening emerged as a way to focus compound libraries by removing unpromising drug candidates before bench-top testing is ever started.
Based on the discovery of the new di-phenyl-pyrazole (DPP) lead structure (Fig. 1), a focussed compound library was generated.
Certainly, the primary focus for development in recent years has been the drive for continued miniaturization by the industry; however, this is likely to diminish because many operations become more individual-project and focussed-compound-set-orientated [38].
We focused on compound records that had associated chemical structures in the form of MOL files [27].
The assessment of activity cliffs has conventionally focused on compound pairs.
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