ArticleThe journal of physical chemistry. B2025
Classification of Samples via Neural-Network Augmented Two-Dimensional Infrared Spectroscopy.
Article in The journal of physical chemistry. B, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
2 citing papers in PubMed.
- Multidimensional Infrared Spectroscopy as a Bioanalytical Technique.Chemical reviews · 2026Review
- Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The application of artificial neural network (ANN) techniques to spectroscopy has proven to be a powerful tool for the rapid and accurate classification of experimental samples. However, despite the unique abilities of two-dimensional infrared spectroscopy (2D IR), the use of ANNs to classify samples on the basis of their 2D-IR spectra has been unexplored. We present two investigations into utilizing ANNs to perform end-to-end classification of samples from their 2D-IR spectra. In the first, we construct a model that can perform a binary classification of experimental samples on the basis of their solvent. In the second, we demonstrate that classification is possible even for a single spectral slice of pump-delay and waiting-time combination even when samples display almost identical spectra. These results clearly demonstrate the potential of ANN-augmented 2D IR, with particular emphasis on its use as a technology for high-throughput screening applications.
Identifiers
What OpenQuestion holds
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.