Concepedia

Machine learning models for binary molecular classification using VUV absorption spectra

Anna C. Doner, Hayden A. Moran, Annabelle R. Webb, Matthew G. Christianson, Alanna L. Koritzke, Nicholas S. Dewey, Samuel W. Hartness, Brandon Rotavera

Journal of Quantitative Spectroscopy and Radiative Transfer · 2022 · 18 citations · 21 references

DOIFull text

Open access

Concepts

References

21

Scikit-learn: Machine Learning in Python

Fabián Pedregosa, Gaël Varoquaux, Alexandre Gramfort et al. · arXiv (Cornell University) · 2012 · 63.7K citations · Full text

, , +10

Kinetics of elementary reactions in low-temperature autoignition chemistry

Judit Zádor, Craig A. Taatjes, Ravi X. Fernandes · Progress in Energy and Combustion Science · 2010 · 674 citations

, , +14

Combustion machine learning: Principles, progress and prospects

Matthias Ihme, Wai Tong Chung, Aashwin Mishra · Progress in Energy and Combustion Science · 2022 · 256 citations · Full text

, , +17

Functional Group Identification for FTIR Spectra Using Image-Based Machine Learning Models

Abigail Enders, Nicole North, Chase M. Fensore et al. · Analytical Chemistry · 2021 · 186 citations

, , +17

Applications of machine learning in spectroscopy

C. Ramírez, Michael Greenop, Lorna Ashton et al. · Applied Spectroscopy Reviews · 2020 · 179 citations

, , +8