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Guidelines for Method ComparisonRead the first pre-print from the Small Molecule Steering Committee

This dataset has not yet been certified by approved reviewers. It may contain issues related to data completeness and quality.

Dataset

tdcommons/ld50-zhu

Acute toxicity LD50.

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

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