---
dataset_info:
  features:
  - name: title
    dtype: string
  - name: isomeric_smiles
    dtype: string
  splits:
  - name: test
    num_bytes: 736013
    num_examples: 7070
  download_size: 351601
  dataset_size: 736013
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 Titles Bitext Mining
tags:
- chemistry
- pubchem
- SMILES
- chemteb
size_categories:
- 1K<n<10K
---
# PubChem Isomeric SMILES and Titles Bitext Mining
This dataset contains two separate lists: one of isomeric SMILES strings and the other of corresponding entity titles, 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 titles, where each SMILES string from the first list should be aligned with its corresponding entity title from the second list. The dataset is intended for bitext mining tasks, where the goal is to correctly retrieve the matching title for each chemical entity represented by its SMILES string, providing a valuable resource for chemical entity alignment and retrieval tasks.