---
license: unknown
task_categories:
- tabular-classification
- graph-ml
- text-classification
tags:
- chemistry
- biology
- medical
pretty_name: MoleculeNet ClinTox
size_categories:
- 1K<n<10K
configs:
- config_name: default
  data_files:
  - split: train
    path: "clintox.csv"
---

# MoleculeNet ClinTox

Load and return the ClinTox dataset, part of MoleculeNet [[1]](#1) benchmark. It is intended to be used through 
[scikit-fingerprints](https://github.com/scikit-fingerprints/scikit-fingerprints) library.

The task is to predict drug approval viability, by predicting clinical trial toxicity and final FDA approval status. Both tasks are binary.

| **Characteristic** |      **Description**     |
|:------------------:|:------------------------:|
|        Tasks       |             2            |
|      Task type     | multitask classification |
|    Total samples   |           1477           |
|  Recommended split |         scaffold         |
| Recommended metric |           AUROC          |

## References
<a id="1">[1]</a> 
Wu, Zhenqin, et al.
"MoleculeNet: a benchmark for molecular machine learning."
Chemical Science 9.2 (2018): 513-530
https://pubs.rsc.org/en/content/articlelanding/2018/sc/c7sc02664a