Data mining in catalysis Separating knowledge from garbage

Authors
Publication date 30-08-2008
Journal Catalysis Today
Volume | Issue number 137 | 1
Pages (from-to) 2-10
Number of pages 9
Organisations
  • Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
Abstract

The subject of 'data mining', also known as 'knowledge discovery', has exciting applications in catalysis research. In this paper, I outline the basics of data mining, with examples from different areas of catalysis. The focus is on the concepts, rather than on specific algorithms. I highlight the subject of descriptor modelling methods for rational catalyst design, and summarise some simple validation approaches that can help us separate knowledge from garbage.

Document type Article
Note In special issue: Recent Developments in Combinatorial Catalysis Research and High-Throughput Technologies.
Language English
Published at https://doi.org/10.1016/j.cattod.2008.02.014
Other links https://www.scopus.com/pages/publications/45949095165
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