lycaoduong/FTIR

FTIR Absorbance Spectra Dataset for Fcg-Former Paper

Dataset Description

The data was obtained from the National Institute of Standards and Technology (NIST) Chemistry WebBook. The dataset is intended for use in the "Fcg-Former" research project, which focuses on machine learning models for spectral analysis.

Source

The FTIR spectra data was sourced from the NIST Chemistry WebBook.

NIST Chemistry WebBook: https://webbook.nist.gov/

Data Format

File Format: The spectra are stored in numpy (.npy) files and their corresponding label are stored in text (.txt) files, with each file corresponding to a different compound.

Citation

  title={Fcg-Former: Identification of Functional Groups in FTIR Spectra Using Enhanced Transformer-Based Model},
  author={Doan, Vu Hoang Minh and Ly, Cao Duong and Mondal, Sudip and Truong, Thi Thuy and Nguyen, Tan Dung and Choi, Jaeyeop and Lee, Byeongil and Oh, Junghwan},
  journal={Analytical Chemistry},
  year={2024},
  publisher={ACS Publications}
}