Cargando…
Functional and Material Properties in Nanocatalyst Design: A Data Handling and Sharing Problem
(1) Background: Properties and descriptors are two forms of molecular in silico representations. Properties can be further divided into functional, e.g., catalyst or drug activity, and material, e.g., X-ray crystal data. Millions of real measured functional property records are available for drugs o...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8153597/ https://www.ncbi.nlm.nih.gov/pubmed/34068386 http://dx.doi.org/10.3390/ijms22105176 |