Materials Precursor Score: Modeling Chemists’ Intuition for the Synthetic Accessibility of Porous Organic Cage Precursors

[Image: see text] Computation is increasingly being used to try to accelerate the discovery of new materials. One specific example of this is porous molecular materials, specifically porous organic cages, where the porosity of the materials predominantly comes from the internal cavities of the molec...

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Detalles Bibliográficos
Autores principales: Bennett, Steven, Szczypiński, Filip T., Turcani, Lukas, Briggs, Michael E., Greenaway, Rebecca L., Jelfs, Kim E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8479809/
https://www.ncbi.nlm.nih.gov/pubmed/34388347
http://dx.doi.org/10.1021/acs.jcim.1c00375

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