juppy44/tox21-ai-descriptions
收藏Hugging Face2026-03-23 更新2026-03-29 收录
下载链接：
https://hf-mirror.com/datasets/juppy44/tox21-ai-descriptions
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资源简介：
---
dataset_info:
features:
- name: ID
dtype: string
- name: smiles
dtype: string
- name: inchikey
dtype: string
- name: sdftitle
dtype: string
- name: order
dtype: int64
- name: set
dtype: string
- name: CVfold
dtype: float64
- name: NR-AhR
dtype: float64
- name: NR-AR
dtype: float64
- name: NR-AR-LBD
dtype: float64
- name: NR-Aromatase
dtype: float64
- name: NR-ER
dtype: float64
- name: NR-ER-LBD
dtype: float64
- name: NR-PPAR-gamma
dtype: float64
- name: SR-ARE
dtype: float64
- name: SR-ATAD5
dtype: float64
- name: SR-HSE
dtype: float64
- name: SR-MMP
dtype: float64
- name: SR-p53
dtype: float64
- name: description
dtype: large_string
splits:
- name: train
num_bytes: 4250995
num_examples: 11764
- name: validation
num_bytes: 75096
num_examples: 296
download_size: 1470509
dataset_size: 4326091
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
- split: validation
path: data/validation-*
---
提供机构：
juppy44
