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The significant differences between each group were caused by the compound represented by these scattered points.
The structure of s-th compound represented by m structural descriptors or "variables" can be expressed as X s = (xs1, xs2,... x sm ).
According to the literature, this proton absorption is the compound represented by the configuration Z, as illustrated by the absorption of the CH= group.
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BiOCl nanosheets were deposited on anodized TiO2 nanotube arrays (NTAs) by sequential chemical bath deposition method to get BiOCl/TiO2 NTAs for photoelectrochemical detection of organic compounds (represented by glucose).
A diverse of chiral β-lactam bridged analogues of combretastatin A-4 (CA-4), 3-substituted 1,4-diaryl-2-azetidinones, were asymmetrically synthesized and biologically evaluated, leading to identify a number of potent anti-proliferative compounds represented by 14b and 14c with IC50 values of 0.001 0.021 μM, against four human cancer cell lines (A2780, Hela, SKOV-3 and MDA-MB-231).
Compounds represented by peaks 3 12 are listed in Table 2.
Phenylacetic acid (PAA) is a class of important compounds represented by several industries and its demand is very large.
Chu et al.[17] used consensus clustering methods on sets of chemical compounds represented by 2D fingerprints (ECFP_4), and concluded that consensus methods can outperform the Ward's method, the current standard clustering method for chemoinformatics applications.
The chemical space X is a set of chemical compounds represented by the combination of all possible existing chemical descriptors, and for a given endpoint there is a collection of existing models ℳ.
We compared a variety of combinations of machine learning algorithms in classification experiments using compounds represented by 2 types of molecular fingerprints, for sets generated on the basis of confirmed active (from 2 activity databases) and varied numbers of assumed inactive compounds randomly selected from ZINC.
This high-throughput method was utilized to screen a library of 3,228 compounds represented by 1,948 bioactive compounds and 1,280 small molecules derived via diversity-oriented synthesis.
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