smiles-iupac(PubChem)-1-million is a dataset from Kaggle. The title suggests it contains one million chemical compounds, likely linking SMILES strings with IUPAC names sourced from the PubChem database. The specific columns, file format, and other metadata are not provided.
Use Cases
- Train a model to translate between SMILES and IUPAC chemical notations (inferred from domain, verify after download)
- Build a molecular embedding model using large-scale identifier data (inferred from domain, verify after download)
- Validate chemical name standardization pipelines (inferred from domain, verify after download)
Strengths
- Published on Kaggle, a major platform for data science.
- Platform tags indicate a focus on large-scale chemistry data.
Limitations
- Metadata is minimal; actual content requires verification after download.
- Column-level documentation is absent; field semantics must be inferred after download.
- Row count is unconfirmed; the '1-million' scale is inferred from the title.
Provenance
- Source
- PubChem
- Collection Method
- Likely extracted or aggregated from the PubChem database.
- Time Range
- null
- Freshness
- Last update date is unknown; freshness unverified.
- Geography
- null