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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/half-life-obach

Half life duration.

Created on: July 22, 2024Dataset size: 29 KBNumber of datapoints: 667
Public

Tags

ADME

Modalities

MOLECULE

Details

README

Background

Half life of a drug is the duration for the concentration of the drug in the body to be reduced by half. It measures the duration of actions of a drug. This dataset is from [1] and we obtain the deposited version under CHEMBL assay 1614674.

Description of readout

Task Description: Regression. Given a drug SMILES string, predict the half life duration.

Data resource

References: [1] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 670 Drug Compounds