BASF-AI/PubChemSMILESIsoDescBM
收藏Hugging Face2024-09-23 更新2025-04-12 收录
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https://hf-mirror.com/datasets/BASF-AI/PubChemSMILESIsoDescBM
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资源简介：
---
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](https://www.ebi.ac.uk/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.
提供机构：
BASF-AI
