Toxicity of aliphatic ethers: a comparative study.
The CROMRsel procedure was used to model the toxicity of aliphatic ethers against mice. The best model obtained is based on three molecular descriptors and is a better model than other QSAR models from the literature. The only comparable model is one by Ren, based on four descriptors.
Milicević
Ante
A
The Institute of Medical Research and Occupational Health, Zagreb, Croatia.
Nikolić
Sonja
S
Trinajstić
Nenad
N
D000818:Animals; D004987:Ethers / Q000633:toxicity*; D051379:Mice; D008956:Models, Chemical; D015999:Multivariate Analysis; D021281:Quantitative Structure-Activity Relationship; D018675:Toxicity Tests / Q000379:methods*
D004987:Ethers