juppy44/chembl-ic50-cleaned
收藏Hugging Face2026-03-22 更新2026-03-29 收录
下载链接：
https://hf-mirror.com/datasets/juppy44/chembl-ic50-cleaned
下载链接
链接失效反馈官方服务：
资源简介：
---
dataset_info:
features:
- name: molecule_chembl_id
dtype: string
- name: target_chembl_id
dtype: string
- name: canonical_smiles
dtype: string
- name: raw_smiles
dtype: string
- name: inchi_key
dtype: string
- name: valid_mol
dtype: float64
- name: n_activity_rows
dtype: int64
- name: ic50_nM_median
dtype: float64
- name: pIC50_median
dtype: float32
splits:
- name: train
num_bytes: 158111505
num_examples: 717600
download_size: 44740350
dataset_size: 158111505
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
---
提供机构：
juppy44
