BASF-AI/PubChemSMILESCanonTitleBM
收藏Hugging Face2024-09-23 更新2025-04-12 收录
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https://hf-mirror.com/datasets/BASF-AI/PubChemSMILESCanonTitleBM
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资源简介：
---
dataset_info:
features:
- name: title
dtype: string
- name: canonical_smiles
dtype: string
splits:
- name: test
num_bytes: 981489
num_examples: 15457
download_size: 550577
dataset_size: 981489
configs:
- config_name: default
data_files:
- split: test
path: data/test-*
language:
- en
tags:
- chemistry
- pubchem
- SMILES
- chemteb
pretty_name: PubChem Canonical SMILES and Titles Bitext Mining
size_categories:
- 1K<n<10K
license: cc-by-nc-sa-4.0
---
# PubChem Canonical SMILES and Titles Bitext Mining
This dataset contains two separate lists: one of canonical 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.
提供机构：
BASF-AI
