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Additional pairwise target comparison revealed compound relationships between miR-142-3p miR-142-3p miR-142-3p
The relevant Results section reads: "Additional pairwise target comparison revealed compound relationships between miR-142-3p miR-142-3p miR-142-3p
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We are primarily focusing on gene relationships, but not on other the relationships in the pathways (protein-compound relationships, compound-compound relationships, and so on). in this version of IntPath.
Moreover, in this version of IntPath we only take gene relationships into account; in a future version, IntPath will also consider other important relationships in the pathways--like protein-compound relationships, compound-compound relationships, and so on.
However, broad gene expression patterns as identified by principle component analysis contribute only moderately to gene-compound relationships in this study.
Analogous to the precomputed "Similar Compounds" relationship for 2-D similarity, PubChem3D now provides a "Similar Conformers" neighboring relationship [8] using 3-D similarity.
Among them, 1063 scaffolds (about 77%% of the whole scaffolds) show a one-scaffold-one-compound relationship again with benzene and pyridine as the most common ones.
As demonstrated in Figure 6 and 7, the 3-D "Similar Conformers" relationship can be useful to identify structurally similar molecules that may be completely missed when only the 2-D "Similar Compounds" relationship is exploited.
A pre-computed search per compound record gives immediate access to a set of 3-D similar compounds (called "Similar Conformers" [8]) in PubChem and their respective superpositions, augmenting the complementary "Similar Compounds" relationship, computed using the PubChem 2-D similarity method.
An all-against-all 3-D neighboring relationship (known as "Similar Conformers") [24] is pre-computed to help users to locate related data in the archive, augmenting the complementary "Similar Compounds" relationship, based on 2-D similarity of the PubChem subgraph binary fingerprint [26].
So could the "papers-per-compound" relationship be plotted to provide insight into this?
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