- Review
Functional and Material Properties in Nanocatalyst Design: A Data Handling and Sharing Problem
- Daniel Lach,
- Uladzislau Zhdan,
- Adam Smolinski and
- Jaroslaw Polanski
(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 fun...