ArticleAnalytical chemistry2023
Machine Learning Analysis of Raman Spectra To Quantify the Organic Constituents in Complex Organic-Mineral Mixtures.
Article in Analytical chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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Who cites it
3 citing papers in PubMed.
- SERS Mixture Recognition from Pure-Substance Spectra via Component Evidence Learning and Two-Stage Inference.Molecules (Basel, Switzerland) · 2026Article
- Calibrated Uncertainty Estimation for Soil Organic Carbon from Raman Spectra.Analytical chemistry · 2026Article
- Surface-enhanced Raman spectroscopy as a tool for food and environmental monitoring of pesticides: recent trends and perspectives.Nanoscale advances · 2025Review
Corrections and comments
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Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Important decisions in local agricultural policy and practice often hinge on the soil's chemical composition. Raman spectroscopy offers a rapid noninvasive means to quantify the constituents of complex organic systems. But the application of Raman spectroscopy to soils presents a multifaceted challenge due to organic/mineral compositional complexity and spectral interference arising from overwhelming fluorescence. The present work compares methodologies with the capacity to help overcome common obstacles that arise in the analysis of soils. We created conditions representative of these challenges by combining varying proportions of six amino acids commonly found in soils with fluorescent bentonite clay and coarse mineral components. Referring to an extensive data set of Raman spectra, we compare the performance of the convolutional neural network (CNN) and partial least-squares regression (PLSR) multivariate models for amino acid composition. Strategies employing volume-averaged spectral sampling and data preprocessing algorithms improve the predictive power of these models. Our average test
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.