Cargando…
Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds
We present a data set of 48182 organic semiconductors, constituted of molecules that were prepared with a documented synthetic pathway and are stable in solid state. We based our search on the Cambridge Structural Database, from which we selected semiconductors with a computational funnel procedure....
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8844419/ https://www.ncbi.nlm.nih.gov/pubmed/35165288 http://dx.doi.org/10.1038/s41597-022-01142-7 |