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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Những tác giả chính: Cahill, ST, Young, JEB, Howe, M, Clark, R, Worrall, AF, Stewart, MI
Định dạng: Journal article
Ngôn ngữ:English
Được phát hành: American Chemical Society 2024