metadata

dataset_info:
  features:
    - name: description
      dtype: string
    - name: canonical_smiles
      dtype: string
  splits:
    - name: test
      num_bytes: 3000530
      num_examples: 15457
  download_size: 1353859
  dataset_size: 3000530
configs:
  - config_name: default
    data_files:
      - split: test
        path: data/test-*
license: cc-by-nc-sa-4.0
language:
  - en
tags:
  - chemistry
  - pubchem
  - SMILES
  - chemteb
pretty_name: PubChem Canonical SMILES and Descriptions Bitext Mining
size_categories:
  - 10K<n<100K

PubChem Canonical 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 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 description from the second list. The dataset is intended for bitext mining tasks, where the goal is to correctly retrieve the matching description for each chemical entity represented by its SMILES string, providing a valuable resource for chemical entity alignment and retrieval tasks.