Estimation of acute oral toxicity in rat using local lazy learning.

ABSTRACT:

Background

Acute toxicity means the ability of a substance to cause adverse effects within a short period following dosing or exposure, which is usually the first step in the toxicological investigations of unknown substances. The median lethal dose, LD50, is frequently used as a general indicator of a substance's acute toxicity, and there is a high demand on developing non-animal-based prediction of LD50. Unfortunately, it is difficult to accurately predict compound LD50 using a single QSAR model, because the acute toxicity may involve complex mechanisms and multiple biochemical processes.

Results

In this study, we reported the use of local lazy learning (LLL) methods, which could capture subtle local structure-toxicity relationships around each query compound, to develop L

SUBMITTER: Lu J 

PROVIDER: S-EPMC4047767 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature