The Anesthetic Activity and Toxicity of Halogenated Ethyl Methyl Ethers, a Multivariate QSAR Modelled by PLS
- 1 January 1985
- journal article
- research article
- Published by Wiley in Quantitative Structure-Activity Relationships
- Vol. 4 (1) , 1-11
- https://doi.org/10.1002/qsar.19850040102
Abstract
QSAR between anesthetic activity, toxicity, and a multi‐variate set of structural descriptors for a series of halogenated ethyl methyl ethers were analysed by the method of partial least squares in latent variables (PLS). A two dimensional model resulted describing 86% of the variance in anesthetic activity. A three dimensional model describes 87% of the variance in toxicity. A grouping of anesthetics according to their type of side effects was indicated by the data analysis.Keywords
This publication has 20 references indexed in Scilit:
- Simplified C-13 NMR Parameters Related to the Carcinogenic Potency of Polycyclic Aromatic HydrocarbonsQuantitative Structure-Activity Relationships, 1983
- BC(DEF) Coordinates 4. Correlations with General Anesthesia, Nerve Blockade, and Erythrocyte StabilizationQuantitative Structure-Activity Relationships, 1983
- Hydrogen bonding and anesthetic potencyJournal of Medicinal Chemistry, 1982
- New inhalation anaesthetics: III. Fluorinated aliphatic ethersJournal of Fluorine Chemistry, 1979
- Cross-Validatory Estimation of the Number of Components in Factor and Principal Components ModelsTechnometrics, 1978
- Partition coefficients and the structure-activity relation of the anesthetic gasesJournal of Medicinal Chemistry, 1975
- General anesthetics. 3. Fluorinated methyl ethyl ethers as anesthetic agentsJournal of Medicinal Chemistry, 1972
- Linear Relationships between Lipophilic Character and Biological Activity of DrugsJournal of Pharmaceutical Sciences, 1972
- General anesthetics. 1. Halogenated methyl ethyl ethers as anesthetic agentsJournal of Medicinal Chemistry, 1971
- Contributions to the theory of narcosisTransactions of the Faraday Society, 1937