README.md

metadata

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 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.