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Like many chemical structures, the bases of DNA are able to exist in several conformations called isomers.
Considering many chemical structures are synthesized for novelty purposes, this may not be completely surprising.
There was no apparent correlation between the count of conformers per unit volume and their diversity, meaning that a single reference shape can describe the shape space of many chemical structures.
In other cases, many chemical structures are active for reasons that have little to do with binding to a protein target, being aggregators, covalent binders, cytotoxic, or some other unintended mode giving rise to the measured "activity" during the biological test (so called "false positives").
The Bioclipse-QSAR feature supports multiple descriptor providers; the only requirement is that the software must be able to accept one or many chemical structures, and deliver descriptors in a deterministic fashion that can be accessed either programmatically or via a batch job (e.g. shell script).
PPARγ is evolutionarily conserved between mice and humans, and it may be particularly susceptible to chemical "imposters" because it has a large ligand-binding pocket that can accommodate many chemical structures.
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There are surprisingly many chemical structure formats that are unable to guarantee that an algorithm can determine the correct molecular formula from the drawing.
The second question is how does the nervous system translate so many different chemical structures into different perceptions and behaviors".
There are many diverse chemical structures with similar biological efficacies against targets available in PubChem that are difficult to interrelate using traditional 2-D similarity methods.
However, there are many diverse chemical structures with similar biological efficacies against targets available in PubChem that can be difficult to interrelate using traditional 2-D similarity methods [8 11].
Although nuclear hormone receptors have high affinity and specificity for their endogenous ligand, some, such as the estrogen receptor, are capable of accommodating, albeit weakly, many other chemical structures in their binding sites.
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many biological structures
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many chemical products
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many chemical elements
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