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ASAP Discovery x OpenADMET CompetitionTake part in the first prospective benchmark on Polaris.

Dataset

tdcommons/ld50-zhu

Acute toxicity LD50.

Created on: July 22, 2024Dataset size: 306 KBNumber of datapoints: 7,385
Public

Status

Uncertified

This artifact has not been certified by approved reviewers. It may contain issues related to data quality.

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Tags

TOX

Modalities

MOLECULE

Details

README

Background

Acute toxicity LD50 measures the most conservative dose that can lead to lethal adverse effects. The higher the dose, the more lethal of a drug. This dataset is kindly provided by the authors of [1]

Description of readout

Task Description: Regression. Given a drug SMILES string, predict its acute toxicity.

Data resource

Reference: [1] Quantitative Structure−Activity Relationship Modeling of Rat Acute Toxicity by Oral Exposure