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Whereas biomass conversion is widely envisioned to proceed via platform molecules that are employed as building blocks to produce chemicals, an alternative value chain is proposed that proceeds via more direct and cost effective routes and do not necessarily duplicate chemicals currently produced from fossil resources.
We assayed 9 of the chemicals in duplicate on each plate, and duplicate chemicals showed similar median EC10 values and ranges of variability.
We examined the interactions for concordance with expected findings for a small number of well-characterized NR ligands, for reproducibility across duplicate chemicals in the library, for biological profiles by clustering activities across NRs based on sequence homology of their ligand-binding domains (LBDs), and by phenotypic clustering to look for structure activity relationships (SARs).
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The resulting tool generates all possible non-duplicate chemical structures for a given elemental composition, with the option to generate only those that contain one or multiple non-overlapping substructures, which is the most important constrain to reduce the number of resulting candidate structures when a knowledge system is not available [18].
This collection was filtered to remove duplicates and chemicals, and to convert non-human proteins IDs to human IDs (for better recognition in the IPA programs).
An amount of 150 g of both samples was oven-dried (103°C) and ground (0.5 mm): the samples were analyzed in duplicate and chemical composition determined by modified Weende analysis [ 22].
The InChI is often used to identify and remove duplicates in chemical databases.
Duplicates of gene-chemical and chemical-gene links were also removed from this list.
Traditional materials utilized for orthopedic and dental applications have been selected based on their mechanical properties and ability to remain inert in vivo; this selection process has provided materials that satifisfy physiological loading conditions but do not duplicate the mechanical, chemical, and architectural properties of bone.
A calibrator spike (equivalent to one-fifth of top calibrator concentration for each assay) was tested in duplicate in the chemical and biological matrices described above in each assay run and used as an independent internal control for intra- and interassay variation.
For the remaining two chemicals, the duplicate Dibutyl phthalate samples had low NR activity and grouped closely in NRG F and NRG G (these samples were separately sourced substances from two different vendors).
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