Sentence examples for duplicate structure from inspiring English sources

To avoid duplicate structure predictions on a given protein, each workunit is initialized with a random number seed.

Note that duplicate structure types are used, as long as there is a significant change in site occupancy.

Mixtures, chemicals missing structural information, and inorganic, organometallic, and duplicate structures were removed during curation (n = 374).

Duplicate structures are avoided prospectively.

The duplicate structures were removed.

Remove duplicate structures by comparing CACTVS stereo hash codes [23].

Removal of any duplicate structures resulted in 244,143 unique molecular structures.

Duplicate structures and their synonyms were joined based on the InChI identity of compounds.

Duplicate structures were omitted, but optical isomers were retained in the data set.

The AMBIT generated InChIKey from the standardisation procedure was used as the molecular identifier to identify duplicate structures in the data aggregation.

We also found 10 groups of duplicate structures with 3 compounds each, whereby 2 groups belonged to PTK2B and 8 groups to MAPK14.