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PeptidosSuplementos/research-peptides-reference

Research Peptides Reference Dataset A clean, machine-readable reference table of research-grade peptides commonly discussed in biochemistry and drug-discovery literature. Each entry combines a curated research category with verified physicochemical properties pulled from PubChem (PUG REST): PubChem CID, molecular formula, molecular weight, canonical SMILES and IUPAC name. The goal is a small, high-signal starting point for cheminformatics, tabular ML, educational tooling and… See the full description on the dataset page: https://huggingface.co/datasets/PeptidosSuplementos/research-peptides-reference.

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Research Peptides Reference Dataset

A clean, machine-readable reference table of research-grade peptides commonly discussed in biochemistry and drug-discovery literature. Each entry combines a curated research category with verified physicochemical properties pulled from [PubChem](https://pubchem.ncbi.nlm.nih.gov/) (PUG REST): PubChem CID, molecular formula, molecular weight, canonical SMILES and IUPAC name.

The goal is a small, high-signal starting point for cheminformatics, tabular ML, educational tooling and literature-mining projects that need a normalized list of peptide names, aliases and structures.

Dataset structure

ColumnDescription
nameCommon name of the peptide
aliasesSemicolon-separated synonyms and codes
categoryBroad research category (metabolic, regenerative, cosmetic, etc.)
research_area_summaryOne-line neutral summary of the research context
pubchem_cidPubChem Compound ID (when resolvable)
molecular_formulaFrom PubChem
molecular_weightFrom PubChem (g/mol)
canonical_smilesFrom PubChem
iupac_nameFrom PubChem

How to load

python
from datasets import load_dataset

ds = load_dataset("PeptidosSuplementos/research-peptides-reference")
print(ds["train"][0])

How this dataset was built

  1. 1.A curated seed list (data/research_peptides_seed.csv) defines each peptide's name, aliases and research category.
  2. 2.enrich_pubchem.py queries PubChem by name/alias and appends verified molecular properties. No molecular values are hand-entered.

The build script is included in the repository so the dataset is fully reproducible.

Curated and maintained by

This dataset is curated and maintained by the team at [Péptidos y Suplementos México (peptidosysuplementos.mx)](https://peptidosysuplementos.mx), a Mexico-based catalog of research peptides and supplements. Corrections and additions are welcome via pull request.

⚠️ Intended use / disclaimer

For Research Use Only (RUO). This dataset is an informational, educational reference for computational and literature-mining work. It is not medical advice, dosing guidance, or a recommendation to use any compound in humans or animals. Many listed compounds are experimental and not approved for therapeutic use. Always consult primary literature and qualified professionals.

License

Released under CC-BY-4.0. The molecular data is sourced from PubChem, which places its data in the public domain (PubChem data usage policies apply). Please attribute this compilation when you reuse it.

Citation

bibtex
@misc{research_peptides_reference,
  title  = {Research Peptides Reference Dataset},
  author = {Péptidos y Suplementos México},
  year   = {2026},
  url    = {https://peptidosysuplementos.mx}
}