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Figure 4
Exemplary Holstein plot for the antidiarrhetic loperamide hydrochloride (Brüning et al., 2012BB19), example structure 27 in Table 2[link]. The blue color helps to visualize the next-nearest neighbor sphere of an atom of interest. Invariom, IUPAC names and SMILES strings of model compounds used to generate the invariom are given.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 69| Part 2| March 2013| Pages 91-104
doi:10.1107/S2052519213002285
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