Exact(26)
L-shaped composite parts are structural key elements in complex-shaped aerospace composite structures, and life cycle cross-sectional strain change is their key.
To be close to an ideal data set, structure diversity of our data set could be obtained through MACSS (structural key) based k-means clustering.
From the length change associated with the removal of grain boundaries in the wake of crystallite growth, a structural key quantity of grain boundaries, the grain boundary excess volume or expansion eGB="(0.46±0.11)×10-10 ×10-10directly determined.
Using a multidisciplinary approach, including careful meso- and microstructural observations, pseudosection modelling (with PERPLE_X), trace element thermobarometry and in situ monazite U Th Pb geochronology, we constrained the pressure temperature time deformation path of the studied rock, located in a structural key position.
Pubchem fingerprints (structural key made of 881 keys [19]), 9.
Substructure fingerprints (structural key made of 307 bits [20]. .
Similar(34)
Compound structures were represented using MACCS structural keys [24] and CDK standard hashed fingerprints with a default path length of 6 (FP) [25], generated by PaDEL-Descriptor software [26].
It is unclear how well these singular differences between structures are captured in fixed size structural keys (such as those used by PubChem [72]).
The conversion of chemical structures into the bit strings is based on either structural keys or graph representations.
The PubChem database implements another substructure keys-based fingerprint for similarity search, based on 881 structural keys [48].
Fingerprints and structural keys are really useful for fast matching of similar structures and have been largely used for screening large molecular databases.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com