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For both the use cases above, we present here a set of KNIME workflows, which facilitate rapid compound novelty checks by using the UniChem Connectivity Search web services.
The concept of fragment-based and virtual reaction-driven design enables rapid compound optimization from scratch with a manageable complexity of the search.
FhuA is ideally suited for applications in biotechnology due to its monomeric structure, large pore diameter (39 46 Å elliptical cross-section) that ensures rapid compound flux, and solved crystallographic structure.
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This rapid compounding could overwhelm response capacity and would have resulted in compromised effectiveness of containment measures.
Another limit of I-labeled radiopharmaceuticals is their short physical half-lives, which permits only the rapid compounds synthesis and the study of short metabolic processes.
The ATPase assay provides a rapid, colorimetric, compound-independent measure of the concentration-dependence of any interaction of a drug with Ppg1.
Preliminary in vivo dose exposure data (using a rapid assessment of compound exposure method, "RACE") were also obtained for compound 1c in conjunction with quantitative bioanalytical analysis to understand its pharmacokinetics in mice.
This type of immediate repurposing addresses the way in which rapid environmental disasters compound slow ones.
The advantages over the more time-consuming traditional assays suggest that the influenza bDNA assay is applicable to rapid screening of compound collections for antiviral activity.
This is based on a number of factors, from the perceived failings of such methods, to the belief that rapid screening of compound libraries alone is the most effective way to discover drugs.
The T. cruzi luc strain expressing firefly luciferase is a complementary HTS drug discovery platform, which allows rapid assessment of compound performance in vivo.
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