Chemotion Experimental 1H NMR: Chemical Compound Spectra

A dataset of experimental 1H NMR spectra for chemical compounds, published by the jablonkagroup on Hugging Face. The dataset was last updated on September 29, 2025. Its specific size, row count, and column details are currently unknown.

Use Cases

• Train a model to predict molecular structure from NMR spectra (inferred from domain, verify after download)
• Benchmark spectral matching or similarity search algorithms (inferred from domain, verify after download)
• Validate quantum chemical calculation outputs against experimental data (inferred from domain, verify after download)

Strengths

• Published on the Hugging Face platform, a major repository for ML datasets.
• Last updated on 2025-09-29 09:26:06, indicating recent maintenance.

Limitations

• Metadata is minimal; actual content requires verification after download.
• Row count, column definitions, and file formats are unknown, limiting suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.

Provenance

Source

jablonkagroup

Collection Method

Likely contains experimental measurements from laboratory work.

Time Range

null

Freshness

Last updated 2025-09 29 09:26:06.

Geography

null