IRexp: A database of experimental infrared band lists from open literature

Abstract

IRexp is a collection of experimental infrared band lists (cm⁻¹ peak positions) mined from open chemistry literature, with author-reported ¹H/¹³C NMR strings and resolved structures where available. The research corpus holds 121,233 records from the PMC Open Access Subset and the Chemotion repository, including 57,646 structure-linked entries and 39,118 IR + ¹H + ¹³C + structure quadruples. The public dataset of record contains 88,519 CC-BY/CC0 records released under CC-BY-4.0, with ShareAlike and non-commercial records distributed separately under their source licences. Every record carries a source identifier and a per-record licence stamp. Technical validation covers automated transcription, recall-proxy, and consistency audits. IRexp targets multimodal training, retrieval, and structure-elucidation tools that need structured, attributable experimental peak lists.

LiteratureAgent: Linking Perovskite Literature to Database Expansion, Knowledge Graphs, and Predictive Modeling
Jordan Marshall, Sheryl Sanchez, Ariel Thompson +3
ChemRxiv1 Nov 2026PreprintLicence not statedGeneral chemistryChemRxiv
Data-driven insights into stainless steel pitting corrosion through large-scale literature mining and database construction
Zhen Huang, Jinyan Duan, Yupeng Liu +1
Scientific Reports19 Oct 2026Peer-reviewedCC BY-NC-ND 4.0Full textMaterials & polymersCrossref
Material-Efficient Selection of Externally Bonded Fiber-Reinforced Polymer Composites for RC Shear Strengthening Using a Literature-Based Database and Break-Even Criteria
Nageh M. Ali, Ahmed Farghaly
Polymers13 Oct 2026Peer-reviewedCC BY 4.0Materials & polymersCrossref
Digital hydrogen platform (DigHyd): a rigorously curated database for hydrogen storage materials empowered by AI-assisted literature mining
Seong‐Hoon Jang, Di ZHANG, Xue Jia +8
Applied Physics A4 Sep 2026Peer-reviewedCC BYFull text7 citedMaterials & polymersOpenAlex
Classical infrared correlation rules as diagnostic tests: likelihood ratios from 6,663 experimental spectra
Kementsu Ibarguen Calvo
ChemRxiv22 Sep 2026PreprintCC BYFull textAnalytical chemistryChemRxiv

Cite

BibTeX RIS

BibTeX

@misc{yabbarov2026irexp,
  title = {{IRexp: A database of experimental infrared band lists from open literature}},
  author = {Ilkham Yabbarov and Rudra Sondhi and Rodrigo A. Vargas-Hernández},
  howpublished = {ChemRxiv},
  year = {2026},
  month = oct,
  doi = {10.26434/chemrxiv.15009750/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009750/v1},
  note = {CC BY},
}

RIS

TY  - UNPB
TI  - IRexp: A database of experimental infrared band lists from open literature
AU  - Ilkham Yabbarov
AU  - Rudra Sondhi
AU  - Rodrigo A. Vargas-Hernández
PY  - 2026
DA  - 2026/10/01
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15009750/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009750/v1
AB  - IRexp is a collection of experimental infrared band lists (cm⁻¹ peak positions) mined from open chemistry literature, with author-reported ¹H/¹³C NMR strings and resolved structures where available. The research corpus holds 121,233 records from the PMC Open Access Subset and the Chemotion repository, including 57,646 structure-linked entries and 39,118 IR + ¹H + ¹³C + structure quadruples. The public dataset of record contains 88,519 CC-BY/CC0 records released under CC-BY-4.0, with ShareAlike and non-commercial records distributed separately under their source licences. Every record carries a source identifier and a per-record licence stamp. Technical validation covers automated transcription, recall-proxy, and consistency audits. IRexp targets multimodal training, retrieval, and structure-elucidation tools that need structured, attributable experimental peak lists.
ER  -

Abstract

Related

Cite