The previously described pseudo-equilibrium model for kinetics of distribution of extraneous chemicals in biological systems has been used for the development of the QSAR equation expressing toxicity of phenols against Tetrahymena pyriformis as a non-linear function of their hydrophobicity and acidi
β¦ LIBER β¦
QSAR models of the inhalation toxicity of organic compounds
β Scribed by O. A. Raevsky; E. A. Modina; O. E. Raevskaya
- Book ID
- 106492330
- Publisher
- Springer
- Year
- 2011
- Tongue
- English
- Weight
- 133 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0091-150X
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Model-based QSAR for ionizable compounds
β
K. PirΕ‘elovΓ‘; Ε . BalΓ‘ΕΎ; T. W. Schultz
π
Article
π
1996
π
Springer
π
English
β 858 KB
QSAR Modeling of the BloodβBrain Barrier
β
Liying Zhang; Hao Zhu; Tudor I. Oprea; Alexander Golbraikh; Alexander Tropsha
π
Article
π
2008
π
Springer US
π
English
β 306 KB
Development of QSAR models for predictin
β
Ilaria Massarelli; Marcello Imbriani; Alessio Coi; Marilena Saraceno; NiccolΓ² Ca
π
Article
π
2009
π
Elsevier Science
π
French
β 188 KB
QSAR modelling of the toxicity toTetrahy
β
A. A. Toropov; A. P. Toropova; E. Benfenati; A. Manganaro
π
Article
π
2009
π
Springer
π
English
β 338 KB
Recurrent model of acute toxicity in hom
β
V. Yu. Grigorβev; O. A. Raevskii
π
Article
π
2011
π
Springer
π
English
β 81 KB
DFT Study on the QSAR of Nitroaromatic C
β
Yan Xiu-Fen; Xiao He-Ming; Ju Xue-Hai; Gong Xue-Dong
π
Article
π
2005
π
John Wiley and Sons
π
English
β 60 KB
π 1 views
## Abstract The DFTβB3LYP method, with the basis set 6β311G\*\*, was employed to calculate the molecular geometries and electronic structures of 31 nitroaromatics. __E__~HOMO~, __E__~LUMO~, __Q__~C~, __Q__~N~, __Q__~NO2~ and ΞΌ were selected as quantum chemical descriptors. The acute toxicity (βlg L