---
dataset_info:
  features:
  - name: description
    dtype: string
  - name: isomeric_smiles
    dtype: string
  splits:
  - name: test
    num_bytes: 1786370
    num_examples: 7070
  download_size: 757601
  dataset_size: 1786370
configs:
- config_name: default
  data_files:
  - split: test
    path: data/test-*
license: cc-by-nc-sa-4.0
language:
- en
pretty_name: PubChem Isomeric SMILES and Descriptions Bitext Mining
tags:
- chemistry
- pubchem
- SMILES
- chemteb
size_categories:
- 1K<n<10K
---
# PubChem Isomeric SMILES and Descriptions Bitext Mining
This dataset contains two separate lists: one of canonical SMILES strings and the other of corresponding entity descriptions, both sourced from PubChem ([ChEBI](https://www.ebi.ac.uk/chebi/) source). The task is to identify matching pairs between the SMILES strings and the descriptions, where each SMILES string from the first list should be aligned with its corresponding descriptions from the second list. The dataset is intended for bitext mining tasks, where the goal is to correctly retrieve the matching descriptions for each chemical entity represented by its SMILES string, providing a valuable resource for chemical entity alignment and retrieval tasks.