-
1
-
-
33748905333
-
Model for aqueous solvation based on class IV atomic charges and first solvation shell effects
-
Chambers C.C., Hawkins G.D., Cramer C.J., and Truhlar D.G. Model for aqueous solvation based on class IV atomic charges and first solvation shell effects. J. Phys. Chem. 100 (1996) 16385
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16385
-
-
Chambers, C.C.1
Hawkins, G.D.2
Cramer, C.J.3
Truhlar, D.G.4
-
2
-
-
0031868433
-
Quantitative structure-activity analyses of nitrobenzene toxicity to Tetrahymena pyriformis
-
Cronin M.T.D., Gregory B.W., and Schultz T.W. Quantitative structure-activity analyses of nitrobenzene toxicity to Tetrahymena pyriformis. Chem. Res. Toxicol. 11 (1998) 902-908
-
(1998)
Chem. Res. Toxicol.
, vol.11
, pp. 902-908
-
-
Cronin, M.T.D.1
Gregory, B.W.2
Schultz, T.W.3
-
3
-
-
0029760622
-
Comparison of BCF models based on log P
-
Devillers J., Bintein S., and Domine D. Comparison of BCF models based on log P. Chemosphere 33 (1996) 1047-1065
-
(1996)
Chemosphere
, vol.33
, pp. 1047-1065
-
-
Devillers, J.1
Bintein, S.2
Domine, D.3
-
4
-
-
0019258841
-
Confidence interval estimators for parameters associated with quantitative structure-activity relationships
-
Dietrich D.W., Dreyer N.D., and Hansch C.J. Confidence interval estimators for parameters associated with quantitative structure-activity relationships. J. Med. Chem. 23 (1980) 1201-1205
-
(1980)
J. Med. Chem.
, vol.23
, pp. 1201-1205
-
-
Dietrich, D.W.1
Dreyer, N.D.2
Hansch, C.J.3
-
5
-
-
0032842090
-
Prediction of fathead minnow acute toxicity of organic compounds from molecular structure
-
Eldred D.V., Weikel C.L., Jurs P.C., and Kaiser K.L.E. Prediction of fathead minnow acute toxicity of organic compounds from molecular structure. Chem. Res. Toxicol. 12 (1999) 670-678
-
(1999)
Chem. Res. Toxicol.
, vol.12
, pp. 670-678
-
-
Eldred, D.V.1
Weikel, C.L.2
Jurs, P.C.3
Kaiser, K.L.E.4
-
6
-
-
0842326730
-
A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis
-
Gonzalez M.P., Diaz H.G., Cabrera M.A., and Ruiz R.M. A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis. Bioorg. Med. Chem. 12 (2004) 735-744
-
(2004)
Bioorg. Med. Chem.
, vol.12
, pp. 735-744
-
-
Gonzalez, M.P.1
Diaz, H.G.2
Cabrera, M.A.3
Ruiz, R.M.4
-
7
-
-
0642340968
-
Acute toxicity of benzene derivatives to the tadpoles (Rana japonica) and QSAR analyses
-
Huang H., Wang X., Ou W., Zhao J., Shao Y., and Wang L. Acute toxicity of benzene derivatives to the tadpoles (Rana japonica) and QSAR analyses. Chemosphere 53 (2003) 963-970
-
(2003)
Chemosphere
, vol.53
, pp. 963-970
-
-
Huang, H.1
Wang, X.2
Ou, W.3
Zhao, J.4
Shao, Y.5
Wang, L.6
-
8
-
-
0029813829
-
Quantum-chemical descriptors for estimating the acute toxicity of substituted benzenes to the guppy (Poecilia reticulata) and fathead minnow (Pimephales promelas)
-
Karabunarliev S., Mekenyan O.G., Karcher W., Russom C.L., and Bradbury S.P. Quantum-chemical descriptors for estimating the acute toxicity of substituted benzenes to the guppy (Poecilia reticulata) and fathead minnow (Pimephales promelas). Quant. Struct.-Act. Relat. 15 (1996) 311-320
-
(1996)
Quant. Struct.-Act. Relat.
, vol.15
, pp. 311-320
-
-
Karabunarliev, S.1
Mekenyan, O.G.2
Karcher, W.3
Russom, C.L.4
Bradbury, S.P.5
-
10
-
-
0034963339
-
QSAR study on the toxicity of substituted benzenes to the algae (Scenedesmus obliquus)
-
Lu G.H., Yuan X., and Zhao Y.H. QSAR study on the toxicity of substituted benzenes to the algae (Scenedesmus obliquus). Chemosphere 44 (2001) 437-440
-
(2001)
Chemosphere
, vol.44
, pp. 437-440
-
-
Lu, G.H.1
Yuan, X.2
Zhao, Y.H.3
-
11
-
-
0038748369
-
Quantitative structure-toxicity relationships for substituted aromatic compounds to Vibrio fischeri
-
Lu G.H., Yuan X., and Wang C. Quantitative structure-toxicity relationships for substituted aromatic compounds to Vibrio fischeri. Bull. Environ.Contam. Toxicol. 70 (2003) 832-838
-
(2003)
Bull. Environ.Contam. Toxicol.
, vol.70
, pp. 832-838
-
-
Lu, G.H.1
Yuan, X.2
Wang, C.3
-
12
-
-
0034774701
-
50) of organic compounds to the fathead minnow (Pimephales promelas) using a group contribution method
-
50) of organic compounds to the fathead minnow (Pimephales promelas) using a group contribution method. Chem. Res. Toxicol. 14 (2001) 1378-1385
-
(2001)
Chem. Res. Toxicol.
, vol.14
, pp. 1378-1385
-
-
Martin, T.M.1
Young, D.M.2
-
13
-
-
0026078787
-
QSAR modeling of the ERL-D fathead minnow acute toxicity database
-
Nendza M., and Russom C.L. QSAR modeling of the ERL-D fathead minnow acute toxicity database. Xenobiotica 21 (1991) 147-170
-
(1991)
Xenobiotica
, vol.21
, pp. 147-170
-
-
Nendza, M.1
Russom, C.L.2
-
14
-
-
1542635880
-
QSAR analysis of the toxicity of aromatic compounds to Chlorella vulgaris in a novel short-term assay
-
Netzeva T.I., Dearden J.C., Edwards R., Worgan A.D.P., and Cronin M.T.D. QSAR analysis of the toxicity of aromatic compounds to Chlorella vulgaris in a novel short-term assay. J. Chem. Inf. Comput. Sci. 44 (2004) 258-265
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 258-265
-
-
Netzeva, T.I.1
Dearden, J.C.2
Edwards, R.3
Worgan, A.D.P.4
Cronin, M.T.D.5
-
15
-
-
0026335328
-
A QSAR study of the toxicity of amines to the fathead minnow
-
Newsome L.D., Johnson D.E., Lipnick R.L., Broderius S.J., and Russom C.L. A QSAR study of the toxicity of amines to the fathead minnow. Sci. Total. Environ. 109/110 (1991) 537-551
-
(1991)
Sci. Total. Environ.
, vol.109-110
, pp. 537-551
-
-
Newsome, L.D.1
Johnson, D.E.2
Lipnick, R.L.3
Broderius, S.J.4
Russom, C.L.5
-
16
-
-
0032145828
-
Acute toxicity of polar narcotics to three aquatic species (Daphnia magna, Poecilia reticulata and Lymnaea stagnalis) and its relation to hydrophobicity
-
Ramos E.U., Vermeer C., Vaes W.H.J., and Hermens J.L.P. Acute toxicity of polar narcotics to three aquatic species (Daphnia magna, Poecilia reticulata and Lymnaea stagnalis) and its relation to hydrophobicity. Chemosphere 4 (1998) 633-650
-
(1998)
Chemosphere
, vol.4
, pp. 633-650
-
-
Ramos, E.U.1
Vermeer, C.2
Vaes, W.H.J.3
Hermens, J.L.P.4
-
17
-
-
0029663599
-
Prediction of the soil sorption coefficient of organic pollutants by the characteristic root index model
-
Saçan M.T., and Balci{dotless}oǧlu I.A. Prediction of the soil sorption coefficient of organic pollutants by the characteristic root index model. Chemosphere 32 (1996) 1993-2001
-
(1996)
Chemosphere
, vol.32
, pp. 1993-2001
-
-
Saçan, M.T.1
Balcioǧlu, I.A.2
-
18
-
-
0032007685
-
Estimation of liquid vapor pressures for low volatility environmental chemicals
-
Saçan M.T., and Balci{dotless}oǧlu I.A. Estimation of liquid vapor pressures for low volatility environmental chemicals. Chemosphere 36 (1998) 451-460
-
(1998)
Chemosphere
, vol.36
, pp. 451-460
-
-
Saçan, M.T.1
Balcioǧlu, I.A.2
-
19
-
-
0343203563
-
Prediction of aqueous solubility of PCBs related to molecular structure
-
Saçan M.T., and İnel Y. Prediction of aqueous solubility of PCBs related to molecular structure. Turk. J. Chem. 17 (1993) 188-195
-
(1993)
Turk. J. Chem.
, vol.17
, pp. 188-195
-
-
Saçan, M.T.1
Inel, Y.2
-
20
-
-
0028974248
-
Application of the characteristic root index model to the estimation of octanol/water partition coefficients: polychlorinated biphenyls
-
Saçan M.T., and İnel Y. Application of the characteristic root index model to the estimation of octanol/water partition coefficients: polychlorinated biphenyls. Chemosphere 30 (1995) 39-50
-
(1995)
Chemosphere
, vol.30
, pp. 39-50
-
-
Saçan, M.T.1
Inel, Y.2
-
21
-
-
2942722785
-
QSPR study on the bioconcentration factors of nonionic organic compounds in fish by characteristic root index and semiempirical molecular descriptors
-
Saçan M.T., Erdem S.S., Özpi{dotless}nar G.A., and Balci{dotless}oǧlu I.A. QSPR study on the bioconcentration factors of nonionic organic compounds in fish by characteristic root index and semiempirical molecular descriptors. J. Chem. Inf. Comput. Sci. 44 (2003) 985-992
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 985-992
-
-
Saçan, M.T.1
Erdem, S.S.2
Özpinar, G.A.3
Balcioǧlu, I.A.4
-
22
-
-
30944469141
-
Physico-chemical properties of PCDD/PCDFs and phthalate esters
-
Saçan M.T., Özkul M., and Erdem S.S. Physico-chemical properties of PCDD/PCDFs and phthalate esters. SAR QSAR Environ. Res. 16 (2005) 443-459
-
(2005)
SAR QSAR Environ. Res.
, vol.16
, pp. 443-459
-
-
Saçan, M.T.1
Özkul, M.2
Erdem, S.S.3
-
24
-
-
34247135651
-
-
Spartan 04, Windows, Wavefunction, Inc. 18401 Von Karman Avenue, Suite 370, Irvine, CA 92612 USA.
-
-
-
-
25
-
-
84988129057
-
Optimization of parameters for semiempirical methods
-
Stewart J.J.P. Optimization of parameters for semiempirical methods. J. Comput. Chem. 10 (1989) 209-220
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 209-220
-
-
Stewart, J.J.P.1
-
26
-
-
0037074764
-
QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity
-
Toropov A.A., and Toropova A.P. QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity. J. Mol. Struct. (THEOCHEM) 578 (2002) 129-134
-
(2002)
J. Mol. Struct. (THEOCHEM)
, vol.578
, pp. 129-134
-
-
Toropov, A.A.1
Toropova, A.P.2
-
27
-
-
0033938744
-
Quantitative structure-activity relationships for the toxicity to the Tadpole Rana japonica of selected phenols
-
Wang X., Dong Y., Wang L., and Han S. Quantitative structure-activity relationships for the toxicity to the Tadpole Rana japonica of selected phenols. Bull. Environ. Contam. Toxicol. 64 (2000) 859-865
-
(2000)
Bull. Environ. Contam. Toxicol.
, vol.64
, pp. 859-865
-
-
Wang, X.1
Dong, Y.2
Wang, L.3
Han, S.4
-
28
-
-
0035988293
-
Quantitative structure-activity relationships for the toxicity of nitrobenzenes to Tetrahymena thermophila
-
Xu J.B., Jing T.S., Pauli W., and Berger S. Quantitative structure-activity relationships for the toxicity of nitrobenzenes to Tetrahymena thermophila. J. Environ. Sci. Health A. 37 (2002) 563-571
-
(2002)
J. Environ. Sci. Health A.
, vol.37
, pp. 563-571
-
-
Xu, J.B.1
Jing, T.S.2
Pauli, W.3
Berger, S.4
-
29
-
-
15244344934
-
Quantitative structure-activity relationships of nitroaromatics toxicity to the algae (Scenedesmus obliquus)
-
Yan X.F., Xiao H.M., Gong X.D., and Ju X.H. Quantitative structure-activity relationships of nitroaromatics toxicity to the algae (Scenedesmus obliquus). Chemosphere 59 (2005) 467-471
-
(2005)
Chemosphere
, vol.59
, pp. 467-471
-
-
Yan, X.F.1
Xiao, H.M.2
Gong, X.D.3
Ju, X.H.4
-
30
-
-
0031474911
-
QSAR study of the toxicity of nitrobenzenes to river bacteria and Photobacterium phosphoreum
-
Yuan X., Lu G.H., and Lang P.Z. QSAR study of the toxicity of nitrobenzenes to river bacteria and Photobacterium phosphoreum. Bull. Environ. Contam. Toxicol. 58 (1997) 123-127
-
(1997)
Bull. Environ. Contam. Toxicol.
, vol.58
, pp. 123-127
-
-
Yuan, X.1
Lu, G.H.2
Lang, P.Z.3
-
31
-
-
0030902946
-
Quantitative structure-activity relationships of nitroaromatic compounds to four aquatic organisms
-
Zhao Y.H., Yuan X., and Ji G.D. Quantitative structure-activity relationships of nitroaromatic compounds to four aquatic organisms. Chemosphere 34 (1997) 1837-1844
-
(1997)
Chemosphere
, vol.34
, pp. 1837-1844
-
-
Zhao, Y.H.1
Yuan, X.2
Ji, G.D.3
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