Schematic illustration of the NInChI as a notation to represent a particular group of NMsidentifier, with the size of the group getting smaller as additional sub-layers and NM components (core, shell(s), surroundings in the case of NMs providedes as dispersions). Note also that the NInChI incorporates existing InChIs for small molecules, PInChIs for polymeric coatings and MInChI for the wt% of particles in dispersion).
Relevant Paper: Iseult Lynch, Antreas Afantitis, Thomas Exner, Martin Himly, Vladimir Lobaskin, Philip Doganis, Dieter Maier, Natasha Sanabria, Anastasios G. Papadiamantis, Anna Rybinska-Fryca9, Maciej Gromelski, Tomasz Puzyn9, Egon Willighagen, Blair D. Johnston, Mary Gulumian, Marianne Matzke, Amaia Green Etxabe, Nathan Bossa, Angela Serra, Irene Liampa, Stacey Harper, Kaido Tämm, Alexander CØ Jensen, Pekka Kohonen, Luke Slater, Andreas Tsoumanis,Dario Greco , Dave Winkler, Haralambos Sarimveis, Georgia Melagraki
Can an InChI for nano address the need for a simplified representation of complex nanomaterials across experimental and nanoinformatics studies? Nanomaterials 2020
This work was funded via the H2020 EU research infrastructure for nanosafety project NanoCommons (Grant Agreement No. 731032), the EU H2020 nanoinformatics project NanoSolveIT (Grant Agreement No. 814572)