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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: Principles and requirements for nanomaterial representations to facilitate machine processing and cooperation with nanoinformatics tools

Fig. 2

An example of an alpha version (indicated by the 1A) NInChI string that encodes a nanomaterial with two components. Component 1 is a Au shell coating, component 2 is a SiO2 spherical core. Note: the working group on NInChI are aware of some inconsistencies in this approach and its alignment with InChI that will be addressed in the next iteration (beta version or standard extension for nanomaterials 1.0 once accepted by the InChI Trust)

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Journal of Cheminformatics

ISSN: 1758-2946

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