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A good correlation is obtained between the predicted soot inception temperatures and the values previously measured by several investigators for eight hydrocarbon fuels of diverse molecular structures.
However, in carcinogenic modeling, it is difficult to find a proper set of structural parameters with significant correlation to the observed activity, especially when considering compounds having highly diverse molecular structures (i.e., being non-congeners) yet producing similar carcinogenic endpoints.
ORNs provide to the brain abundant and subtle information because they detect a large number of odorants with vastly diverse molecular structures and discriminate them based on tiny chemical differences [1].
Although carotenoids and anthocyanins show diverse molecular structures and biosynthetic pathways, they perform similar biological functions, including acting as antioxidants, and as attractants for pollinators [ 24].
Terpenoids are the largest group of natural products with diverse molecular structures and play multiple roles in the growth and developmental regulation of higher plants.
As we observed with ATN-161, integrin antagonists with diverse molecular structures are safe and potentially active without evidence for dose-limiting toxicity.
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However, machine learning methods have shown promising potential to establish the complex QSARs for the data sets with diverse ranges of molecular structures and mechanisms.
Finally, where exploration is the main target, generation of a large and diverse set of molecular structures (sometimes termed "exhaustive enumeration") is as important as the fast characterisation of these structures with suitable descriptors [6, 16].
Compounds of the MBTPsubDS dataset make a diverse collection of molecular structures covering wide ranges of property values, however they are mostly lipophilic compounds, with 85% of the compounds possessing calculated log P > 0.
Aptamers are short single-stranded oligonucleotides, which fold into diverse and intricate molecular structures that bind with high affinity and specificity to proteins, peptides, and small molecules [17] [19].
These receptors have evolved to recognize microbial molecules of bacterial, viral, and fungal origin that are comprised of molecular structures as diverse as proteins, lipopeptides, glycolipids, as well as nucleic acids.
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