half-life-obach

#	Name	spearmanr	References
1	1B_MPNN_LargeMix-and-Phenomics	0.625	Code Paper
2	3B_e50_MPNN_LargeMix-and-Phenomics	0.573	Code Paper
3	TabPFNv2-rdkit	0.542	No references provided
4	TabPFNv2-rdkit-3D	0.489	No references provided

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

Benchmark

Participants

Tags

Related dataset

Leaderboard

Details

Background

Description of readout

Data resource

Participants

Benchmark

Participants

Tags

Related dataset

Leaderboard

Leaderboards do not always tell the full story

Details

Background

Description of readout

Data resource

Participants