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/bioavailability-ma

Activity of bioavailability.

Created on: July 22, 2024Dataset size: 27 KBNumber of datapoints: 640
Public

Tags

ADME

Modalities

MOLECULE

Details

README

Background

Oral bioavailability is defined as “the rate and extent to which the active ingredient or active moiety is absorbed from a drug product and becomes available at the site of action”.

Description of readout

Task Description: Binary classification. Given a drug SMILES string, predict the activity of bioavailability.

Data resource

Reference: Ma, Chang-Ying, et al. “Prediction models of human plasma protein binding rate and oral bioavailability derived by using GA–CG–SVM method.” Journal of pharmaceutical and biomedical analysis 47.4-5 (2008): 677-682.