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RESEARCH PAPER · Journal of Chemical Education · 2023

Rediscovering the Particle-in-a-Box: Machine Learning Regression Analysis for Hypothesis Generation in Physical Chemistry Lab

Elizabeth S. Thrall, Fernando Martinez Lopez, Thomas Egg, Seung Eun Lee, Joshua Schrier, Yijun Zhao

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12 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Rediscovering the Particle-in-a-Box: Machine Learning Regression Analysis for Hypothesis Generation in Physical Chemistry LabOriginalAssignment of Regioisomers Using Infrared Spectroscopy: A Python Coding Exercise in Data Processing and Machine Learning9Coding with AI in the Physical Chemistry Laboratory20Basic concepts and tools of artificial intelligence in polymer science40The Superformula and Model Quantum Systems as Tools for Learning2369Chapter 14 Robotics innovations in nanotechnology: redefining polymer science with AI0A Problem-Based Introduction to Machine Learning in the Undergraduate Organic Chemistry Laboratory: Prediction of Diels–Alder Reaction Rates9Human-AI collaboration in chemical engineering0Integrating Data Science and Machine Learning with an Aldol Condensation Laboratory2Machine Learning-Enabled Quantification of Characteristic Carbonyl Peak Shifts in Infrared Spectra: An Instrumental Analysis Laboratory Experiment for Upper-Division Undergraduates0Can You Help ChatGPT Get an “A” in Organic Chemistry? Teaching Effective Prompting of Large Language Models for Reaction Prediction3Early cancer diagnosis: AI-based luminescent biosensors for molecular detection of cancer biomarkers1Regression and Residual Analysis in the Spectroscopic Study of Conjugated Dyes0

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  1. Assignment of Regioisomers Using Infrared Spectroscopy: A Python Coding Exercise in Data Processing and Machine Learning

    Journal of Chemical Education · 2024-06-20

    Samuel T. Cahill, Joseph E. B. Young, Max Howe, Ryan Clark, Andrew F. Worrall, Malcolm I. Stewart

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  2. Coding with AI in the Physical Chemistry Laboratory

    Journal of Chemical Education · 2024-08-27

    Patrick M. Hare

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  3. Basic concepts and tools of artificial intelligence in polymer science

    Polymer Chemistry · 2025-01-01

    Khalid Ferji

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  4. The Superformula and Model Quantum Systems as Tools for Learning

    Journal of Chemical Education · 2025-02-13

    David C. Thompson, C.D. Abernethy, Johan Gielis

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  5. 369Chapter 14 Robotics innovations in nanotechnology: redefining polymer science with AI

    De Gruyter eBooks · 2025-06-25

    Komal Gupta, Niranjan Kaushik, Amit Singh, Vikram Sharma, Tanya Biswas

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  6. A Problem-Based Introduction to Machine Learning in the Undergraduate Organic Chemistry Laboratory: Prediction of Diels–Alder Reaction Rates

    Journal of Chemical Education · 2025-07-10

    Ricky Tran, Valerie Brunskill, Amanda Musgrove, Todd C. Sutherland, Darren J. Derksen

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  7. Human-AI collaboration in chemical engineering

    Elsevier eBooks · 2025-10-17

    Junaid Hassan, Maryam Abdinejad, Juliana Heloisa Pinê Américo‐Pinheiro, Irfan Ul Hai, Alexander L. Chupin, Begüm Erten

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  8. Integrating Data Science and Machine Learning with an Aldol Condensation Laboratory

    Journal of Chemical Education · 2026-02-26

    Daniel S. Min, Fei Fan, Abigail G. Doyle

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  9. Machine Learning-Enabled Quantification of Characteristic Carbonyl Peak Shifts in Infrared Spectra: An Instrumental Analysis Laboratory Experiment for Upper-Division Undergraduates

    Journal of Chemical Education · 2026-03-23

    Qiang Zhou, Yilun Dong, Mingyu Xia, Wei Wu, Menghan Zhang, Wenhao Niu, Zhenyu Wang, Wanqun Hu, Pingping Zhu

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  10. Can You Help ChatGPT Get an “A” in Organic Chemistry? Teaching Effective Prompting of Large Language Models for Reaction Prediction

    Journal of Chemical Education · 2026-03-27

    Elizabeth S. Thrall, Olivia M. Vanden Assem, Julia A. Schneider, Joshua Schrier, Sebastian Tassoti

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  11. Early cancer diagnosis: AI-based luminescent biosensors for molecular detection of cancer biomarkers

    Sensing and Bio-Sensing Research · 2026-06-13

    Farzaneh Shalileh, Morteza Hosseini, Morteza Hosseini, Maryam Mousavizadegan, Negin Shamani, Mani Hosseini, Mani Hosseini, Mahsa Naghavi Sheikholeslami

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  12. Regression and Residual Analysis in the Spectroscopic Study of Conjugated Dyes

    Journal of Chemical Education · 2026-07-16

    Paul D. Cooper

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