QSAR Modeling of Mammal Acute Toxicity by Oral Exposure

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Published: Sep 7, 2018
DOI: https://doi.org/10.18097/BMCRM00066
Keywords:
acute oral toxicity QSAR HYBOT

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O.A. Raevsky
Institute of Physiologically Active Compounds of the Russian Academy of Sciences, 1 Severny proezd, Moscow region, Chernogolovka, 142432 Russia
V.Yu. Grigorev
Institute of Physiologically Active Compounds of the Russian Academy of Sciences, 1 Severny proezd, Moscow region, Chernogolovka, 142432 Russia
A.V. Yarkov
Institute of Physiologically Active Compounds of the Russian Academy of Sciences, 1 Severny proezd, Moscow region, Chernogolovka, 142432 Russia
O.V. Tinkov
Institute of Physiologically Active Compounds of the Russian Academy of Sciences, 1 Severny proezd, Moscow region, Chernogolovka, 142432 Russia

Abstract

7490 organic compounds exhibiting acute oral toxicity in mice were studied. Regression models with satisfactory statistical characteristics have been created using the original AMP (arithmetic mean property) approach. The best models using the training and test sets were characterized by the squared linear correlation coefficient and the standard deviation of 0.5 and 0.45 (in log(1/LD50) units).

Article Details

How to Cite
Raevsky, O., Grigorev, V., Yarkov, A., & Tinkov, O. (2018). QSAR Modeling of Mammal Acute Toxicity by Oral Exposure. Biomedical Chemistry: Research and Methods, 1(3), e00066. https://doi.org/10.18097/BMCRM00066
Issue
Vol. 1 No. 3 (2018)
Section
EXPERIMENTAL RESEARCH

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