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Each cluster contains a group of small molecules similar to each other in both structure and bioactivity.
The resulting 18 million clusters, named "PubChem SAR clusters", were delivered in such a way that each cluster contains a group of small molecules similar to each other in both structure and bioactivity.
Similar(58)
In our preliminary study, we observed that some query compounds may find over 1000 neighbor compounds with both similar structure and bioactivity.
This leads to a set of refined families, each consisting of a group of molecules which share similarity of both chemical structure and bioactivity.
The mined association rules represent the possible relationships between the structure and bioactivity.
It was revealed that the released lysozyme maintained its structure and bioactivity.
Very recently, we have reported on the synthesis, X-ray structure, and bioactivity of new thiophene-containing compounds [11, 12].
The effect of various treatments on surface chemical composition and structure, and bioactivity of Ti6Al7Nb bulk alloys has been investigated.
Knowledge of the structure and bioactivity of these stimulants play an essential role in designing control methods for these weeds.
Till now, the nanoscaled surface-induced changes of the structure and bioactivity of BMP-2 remains poorly understood.
The knowledge of these relationships between chemical structure and bioactivity is of high value for the medicinal chemist, e.g., in the lead-optimization process or de-novo-design.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com