Assignment of regioisomers using infrared spectroscopy: a Python coding exercise in data processing and machine learning

Machine learning is a set of tools that are increasingly used in the field of chemistry. The introduction of potential uses of machine learning to undergraduate chemistry students should help to increase their comprehension of and interest in machine learning processes and can help support them in t...

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Main Authors: Cahill, ST, Young, JEB, Howe, M, Clark, R, Worrall, AF, Stewart, MI
格式: Journal article
语言:English
出版: American Chemical Society 2024