Prediction of Acute Mammalian Toxicity Using QSAR Methods: A Case Study of Sulfur Mustard and Its Breakdown Products

Prediction of Acute Mammalian Toxicity Using QSAR Methods: A Case Study of Sulfur Mustard and Its Breakdown Products

Predicting toxicity quantitatively, using Quantitative Structure Activity Relationships (QSAR), has matured over recent years to the point that the predictions can be used to help identify missing comparison values in a substance’s database. In this manuscript we investigate using the lethal dose th...

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Bibliographic Details
Main Authors: John Wheeler, Moiz Mumtaz, Terry Tincher, Gino Begluitti, Patricia Ruiz
Format: Article
Language:English
Published: MDPI AG 2012-07-01
Series:Molecules
Subjects:
sulfur mustard
QSAR
SAR
mammalian oral
LD<sub>50</sub>
quantitative structure-activity relationship
<em>in silico</em> modeling
Online Access:http://www.mdpi.com/1420-3049/17/8/8982

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