A Gentle Introduction to Machine Learning for Chemists: An Undergraduate Workshop Using Python Notebooks for Visualization, Data Processing, Analysis, and Modeling

Autor/inn/en	Lafuente, Deborah; Cohen, Brenda; Fiorini, Guillermo; Garci´a, Agusti´n Alejo; Bringas, Mauro; Morzan, Ezequiel; Onna, Diego
Titel	A Gentle Introduction to Machine Learning for Chemists: An Undergraduate Workshop Using Python Notebooks for Visualization, Data Processing, Analysis, and Modeling
Quelle	In: Journal of Chemical Education, 98 (2021) 9, S.2892-2898 (7 Seiten)Infoseite zur Zeitschrift PDF als Volltext Verfügbarkeit
Zusatzinformation	ORCID (Lafuente, Deborah) ORCID (Cohen, Brenda) ORCID (Fiorini, Guillermo) ORCID (Garci´a, Agusti´n Alejo) ORCID (Bringas, Mauro) ORCID (Onna, Diego)
Sprache	englisch
Dokumenttyp	gedruckt; online; Zeitschriftenaufsatz
ISSN	0021-9584
DOI	10.1021/acs.jchemed.1c00142
Schlagwörter	Undergraduate Students; Chemistry; Electronic Learning; Artificial Intelligence; Workshops; Programming Languages; Visualization; Classification; Regression (Statistics) + Suchen Sie Ihr Suchwort? Chemie; Künstliche Intelligenz; Lernwerkstatt; Schulung; Visualisation; Visualisierung; Classification system; Klassifikation; Klassifikationssystem; Regression; Regressionsanalyse
Abstract	Machine learning, a subdomain of artificial intelligence, is a widespread technology that is molding how chemists interact with data. Therefore, it is a relevant skill to incorporate into the toolbox of any chemistry student. This work presents a workshop that introduces machine learning for chemistry students based on a set of Python notebooks and assignments. Python, one of the most popular programming languages, is open source, free to use, and has plenty of learning resources. The workshop is designed for students without previous experience in programming, and it aims for a deeper understanding of the complexity of concepts in programming and machine learning. The examples used correspond to real data from physicochemical characterizations of wine, a content that is of interest for students. The contents of the workshop are introduction to Python, basic statistics, data visualization, and dimension reduction, classification, and regression. (As Provided).
Anmerkungen	Division of Chemical Education, Inc. and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc
Erfasst von	ERIC (Education Resources Information Center), Washington, DC
Update	2024/1/01