A novel two-step hierarchical quantitative structure-activity relationship modeling work flow for predicting acute toxicity of chemicals in rodents

Authors :: Zhu, Hao
Ye, Lin
Richard, Ann
Golbraikh, Alexander
Wright, Fred A.
Rusyn, Ivan
Tropsha, Alexander
Source :: Environmental Health Perspectives. August, 2009, Vol. 117 Issue 8, p1257, 8 p.
Publication Year :: 2009
Abstract: BACKGROUND: Accurate prediction of in vivo toxicity from in vitro testing is a challenging problem. Large public--private consortia have been formed with the goal of improving chemical safety assessment by [...]

Subjects :: Chemicals -- Safety and security measures
Chemicals -- Health aspects
Chemicals -- Research
Computational chemistry -- Usage

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