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Structure–activity relationship-based chemical classification of highly imbalanced Tox21 datasets [PDF]
AbstractThe specificity of toxicant-target biomolecule interactions lends to the very imbalanced nature of many toxicity datasets, causing poor performance in Structure–Activity Relationship (SAR)-based chemical classification. Undersampling and oversampling are representative techniques for handling such an imbalance challenge.
Gabriel Idakwo+9 more
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The Structure-Activity Relationship of the Antioxidant Peptides from Natural Proteins
Peptides derived from dietary proteins, have been reported to display significant antioxidant activity, which may exert notably beneficial effects in promoting human health and in food processing.
Tang-Bin Zou+4 more
doaj +2 more sources
Microwave absorbing materials (MAMs) are materials that effectively absorb incident electromagnetic (EM) wave energy, reducing reflection and scattering.
Jiani Du+5 more
semanticscholar +1 more source
According to the latest report released by the World Health Organization, bacterial resistance to well-known and widely available antibacterial drugs has become a significant and severe global health concern and a grim challenge to tackle in order to ...
Nur Farisya Shamsudin+8 more
semanticscholar +1 more source
Chinese herbal polysaccharides (CHPs) are natural polymers composed of monosaccharides, which are widely found in Chinese herbs and work as one of the important active ingredients.
Bei Wang+6 more
semanticscholar +1 more source
Structures and Biological Activities of Alkaloids Produced by Mushrooms, a Fungal Subgroup
Alkaloids are a wide family of basic N-containing natural products, whose research has revealed bioactive compounds of pharmacological interest. Studies on these compounds have focused more attention on those produced by plants, although other types of ...
Jesús G. Zorrilla, Antonio Evidente
doaj +1 more source
Crystallization of biomacromolecules-metal-organic frameworks (BMOFs) allows for orderly assemble of symbiotic hybrids with desirable biological and chemical functions in one voxel.
Linjing Tong+7 more
semanticscholar +1 more source
Inhibition of Aminoglycoside 6′-N-acetyltransferase Type Ib (AAC(6′)-Ib): Structure–Activity Relationship of Substituted Pyrrolidine Pentamine Derivatives as Inhibitors [PDF]
The aminoglycoside 6′-N-acetyltransferase type Ib (AAC(6′)-Ib) is a common cause of resistance to amikacin and other aminoglycosides in Gram-negatives. Utilization of mixture-based combinatorial libraries and application of the positional scanning strategy identified an inhibitor of AAC(6′)-Ib.
Kenneth Rocha+14 more
openaire +8 more sources
Many microbial exopolysaccharides (EPS) have been reported in the last decade, and their fermentation processes, functional properties and applications, structural characterization, and biological activities have been extensively studied.
Wei Wang+4 more
doaj +1 more source
In this study, 32 novel quinazolinone-scaffold-containing pyrazole carbamide derivatives were designed and synthesized in a search for a novel fungicide against Rhizoctonia solani.
Zhiwei Lei+6 more
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