Generation of crystal structures using known crystal structures as analogues

Cole, J.C.; Groom, C.R.; Read, M.G.; Giangreco, I.; McCabe, P.; Reilly, A.M.; Shields, G.P.

doi:10.1107/S2052520616006533

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 5
Cumulative percentage of test set entries retrieved within N structural analogues for all structures in the test set. The x axis shows N, the number of structural analogues sampled. The y axis shows the percentage of test set entries that were found within the specified number of structural analogues.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 72| Part 4| August 2016| Pages 530-541

doi:10.1107/S2052520616006533

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