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...

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Detalles Bibliográficos
Autores principales: Lach, Daniel, Zhdan, Uladzislau, Smolinski, Adam, Polanski, Jaroslaw
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Review
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8153597/
https://www.ncbi.nlm.nih.gov/pubmed/34068386
http://dx.doi.org/10.3390/ijms22105176

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