Functional and Material Properties in Nanocatalyst Design: A Data Handling and Sharing Problem
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DOI: 10.3390/ijms22105176
Abstract: (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… read more here.
Keywords: data handling; catalyst design; property; handling sharing ... See more keywords