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