README.md

metadata

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 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.