Data mining in catalysis: Separating knowledge from garbage

✍ Scribed by Gadi Rothenberg

• Publisher: Elsevier Science
• Year: 2008
• Tongue: English
• Weight: 566 KB
• Volume: 137
• Category: Article
• ISSN: 0920-5861
• DOI: 10.1016/j.cattod.2008.02.014

✦ Synopsis

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.