-
1
-
-
0346495994
-
Brominated flame retardants: Cause for concern?
-
Birnbaum, L. S. and Staskal, D. F. (2004) Brominated flame retardants: cause for concern? Environ. Health Perspect. 112, 9-17 10.1289/ehp.6559
-
(2004)
Environ. Health Perspect.
, vol.112
, pp. 9-17
-
-
Birnbaum, L.S.1
Staskal, D.F.2
-
2
-
-
0036787739
-
Levels of polybrominated diphenyl ether (PBDE) flame retardants in animals representing different trophic levels of the North Sea food Web
-
Boon, J. P., Lewis, W. E., Tjoen, A. C. M. R., Allchin, C. R., Law, R. J., De Boer, J., Ten Hallers-Tjabbes, C. C., and Zegers, B. N. (2002) Levels of polybrominated diphenyl ether (PBDE) flame retardants in animals representing different trophic levels of the North Sea food Web Environ. Sci. Technol. 36, 4025-4032 10.1021/es0158298
-
(2002)
Environ. Sci. Technol.
, vol.36
, pp. 4025-4032
-
-
Boon, J.P.1
Lewis, W.E.2
Tjoen, A.C.M.R.3
Allchin, C.R.4
Law, R.J.5
De Boer, J.6
Ten Hallers-Tjabbes, C.C.7
Zegers, B.N.8
-
3
-
-
0037080462
-
Concentrations and spatial variations of polybrominated diphenyl ethers and several organochlorine compounds in fishes from the northeastern United States
-
Dodder, N. G., Strandberg, B., and Hites, R. A. (2002) Concentrations and spatial variations of polybrominated diphenyl ethers and several organochlorine compounds in fishes from the northeastern United States Environ. Sci. Technol. 36, 146-151 10.1021/es010947g
-
(2002)
Environ. Sci. Technol.
, vol.36
, pp. 146-151
-
-
Dodder, N.G.1
Strandberg, B.2
Hites, R.A.3
-
4
-
-
0043199744
-
Polybrominated diphenyl ethers in maternal and fetal blood samples
-
Mazdai, A., Dodder, N. G., Abernathy, M. P., Hites, R. A., and Bigsby, R. M. (2003) Polybrominated diphenyl ethers in maternal and fetal blood samples Environ. Health Perspect. 111, 1249-1252 10.1289/ehp.6146
-
(2003)
Environ. Health Perspect.
, vol.111
, pp. 1249-1252
-
-
Mazdai, A.1
Dodder, N.G.2
Abernathy, M.P.3
Hites, R.A.4
Bigsby, R.M.5
-
5
-
-
80053437028
-
Associations between polybrominated diphenyl ether (PBDE) flame retardants, phenolic metabolites, and thyroid hormones during pregnancy
-
Stapleton, H. M., Eagle, S., Anthopolos, R., Wolkin, A., and Miranda, M. L. (2011) Associations between polybrominated diphenyl ether (PBDE) flame retardants, phenolic metabolites, and thyroid hormones during pregnancy Environ. Health Perspect. 119, 1454-1459 10.1289/ehp.1003235
-
(2011)
Environ. Health Perspect.
, vol.119
, pp. 1454-1459
-
-
Stapleton, H.M.1
Eagle, S.2
Anthopolos, R.3
Wolkin, A.4
Miranda, M.L.5
-
6
-
-
77951714976
-
PBDE concentrations in women's serum and fecundability
-
Harley, K. G., Marks, A. R., Chevrier, J., Bradman, A., Sjodin, A., and Eskenazi, B. (2010) PBDE concentrations in women's serum and fecundability Environ. Health Perspect. 118, 699-704 10.1289/ehp.0901450
-
(2010)
Environ. Health Perspect.
, vol.118
, pp. 699-704
-
-
Harley, K.G.1
Marks, A.R.2
Chevrier, J.3
Bradman, A.4
Sjodin, A.5
Eskenazi, B.6
-
7
-
-
60749089733
-
Metabolism of polybrominated diphenyl ethers (PBDEs) by human hepatocytes in vitro
-
Stapleton, H. M., Kelly, S. M., Pei, R., Letcher, R. J., and Gunsch, C. (2009) Metabolism of polybrominated diphenyl ethers (PBDEs) by human hepatocytes in vitro Environ. Health Perspect. 117, 197-202 10.1289/ehp.11807
-
(2009)
Environ. Health Perspect.
, vol.117
, pp. 197-202
-
-
Stapleton, H.M.1
Kelly, S.M.2
Pei, R.3
Letcher, R.J.4
Gunsch, C.5
-
8
-
-
69249109660
-
Nuclear hormone receptor activity of polybrominated diphenyl ethers and their hydroxylated and methoxylated metabolites in transactivation assays using Chinese hamster ovary cells
-
Kojima, H., Takeuchi, S., Uramaru, N., Sugihara, K., Yoshida, T., and Kitamura, S. (2009) Nuclear hormone receptor activity of polybrominated diphenyl ethers and their hydroxylated and methoxylated metabolites in transactivation assays using Chinese hamster ovary cells Environ. Health Perspect. 117, 1210-1218 10.1289/ehp.0900753
-
(2009)
Environ. Health Perspect.
, vol.117
, pp. 1210-1218
-
-
Kojima, H.1
Takeuchi, S.2
Uramaru, N.3
Sugihara, K.4
Yoshida, T.5
Kitamura, S.6
-
9
-
-
33749607367
-
Gas-phase reactions of brominated diphenyl ethers with OH radicals
-
Raff, J. D. and Hites, R. A. (2006) Gas-phase reactions of brominated diphenyl ethers with OH radicals J. Phys. Chem. A 110, 10783-10792 10.1021/jp0630222
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 10783-10792
-
-
Raff, J.D.1
Hites, R.A.2
-
10
-
-
40949131815
-
Hydroxylated polybrominated diphenyl ethers (OH-PBDEs) in the abiotic environment: Surface water and precipitation from Ontario, Canada
-
Ueno, D., Darling, C., Alaee, M., Pacepavicius, G., Teixeira, C., Campbell, L., Letcher, R. J., Bergman, A., Marsh, G., and Muir, D. (2008) Hydroxylated polybrominated diphenyl ethers (OH-PBDEs) in the abiotic environment: surface water and precipitation from Ontario, Canada Environ. Sci. Technol. 42, 1657-1664 10.1021/es7021279
-
(2008)
Environ. Sci. Technol.
, vol.42
, pp. 1657-1664
-
-
Ueno, D.1
Darling, C.2
Alaee, M.3
Pacepavicius, G.4
Teixeira, C.5
Campbell, L.6
Letcher, R.J.7
Bergman, A.8
Marsh, G.9
Muir, D.10
-
11
-
-
18344392938
-
Hydroxylated and methoxylated brominated diphenyl ethers in the red algae Ceramium tenuicorne and blue mussels from the Baltic Sea
-
Malmvarn, A., Marsh, G., Kautsky, L., Athanasiadou, M., Bergman, A., and Asplund, L. (2005) Hydroxylated and methoxylated brominated diphenyl ethers in the red algae Ceramium tenuicorne and blue mussels from the Baltic Sea Environ. Sci. Technol. 39, 2990-2997 10.1021/es0482886
-
(2005)
Environ. Sci. Technol.
, vol.39
, pp. 2990-2997
-
-
Malmvarn, A.1
Marsh, G.2
Kautsky, L.3
Athanasiadou, M.4
Bergman, A.5
Asplund, L.6
-
12
-
-
0347415650
-
Identification of hydroxylated and methoxylated polybrominated diphenyl ethers in Baltic Sea salmon (Salmo salar) blood
-
Marsh, G., Athanasiadou, M., Bergman, A., and Asplund, L. (2004) Identification of hydroxylated and methoxylated polybrominated diphenyl ethers in Baltic Sea salmon (Salmo salar) blood Environ. Sci. Technol. 38, 10-18 10.1021/es034671j
-
(2004)
Environ. Sci. Technol.
, vol.38
, pp. 10-18
-
-
Marsh, G.1
Athanasiadou, M.2
Bergman, A.3
Asplund, L.4
-
13
-
-
23244451818
-
Polybrominated diphenyl ethers and hydroxylated and methoxylated brominated and chlorinated analogues in the plasma of fish from the Detroit River
-
Valters, K., Li, H., Alaee, M., D'Sa, I., Marsh, G., Bergman, A., and Letcher, R. J. (2005) Polybrominated diphenyl ethers and hydroxylated and methoxylated brominated and chlorinated analogues in the plasma of fish from the Detroit River Environ. Sci. Technol. 39, 5612-5619 10.1021/es0506410
-
(2005)
Environ. Sci. Technol.
, vol.39
, pp. 5612-5619
-
-
Valters, K.1
Li, H.2
Alaee, M.3
D'Sa, I.4
Marsh, G.5
Bergman, A.6
Letcher, R.J.7
-
14
-
-
23844446082
-
Flame retardants and methoxylated and hydroxylated polybrominated diphenyl ethers in two Norwegian Arctic top predators: Glaucous gulls and polar bears
-
Verreault, J., Gabrielsen, G. W., Chu, S., Muir, D. C., Andersen, M., Hamaed, A., and Letcher, R. J. (2005) Flame retardants and methoxylated and hydroxylated polybrominated diphenyl ethers in two Norwegian Arctic top predators: glaucous gulls and polar bears Environ. Sci. Technol. 39, 6021-6028 10.1021/es050738m
-
(2005)
Environ. Sci. Technol.
, vol.39
, pp. 6021-6028
-
-
Verreault, J.1
Gabrielsen, G.W.2
Chu, S.3
Muir, D.C.4
Andersen, M.5
Hamaed, A.6
Letcher, R.J.7
-
15
-
-
84870919798
-
Species-specific differences in the accumulation features of organohalogen contaminants and their metabolites in the blood of Japanese terrestrial mammals
-
Mizukawa, H., Nomiyama, K., Nakatsu, S., Yachimori, S., Hayashi, T., Tashiro, Y., Nagano, Y., and Tanabe, S. (2013) Species-specific differences in the accumulation features of organohalogen contaminants and their metabolites in the blood of Japanese terrestrial mammals Environ. Pollut. 174, 28-37 10.1016/j.envpol.2012.11.004
-
(2013)
Environ. Pollut.
, vol.174
, pp. 28-37
-
-
Mizukawa, H.1
Nomiyama, K.2
Nakatsu, S.3
Yachimori, S.4
Hayashi, T.5
Tashiro, Y.6
Nagano, Y.7
Tanabe, S.8
-
16
-
-
60749103207
-
Hydroxylated metabolites of polybrominated diphenyl ethers in human blood samples from the United States
-
Qiu, X., Bigsby, R. M., and Hites, R. A. (2009) Hydroxylated metabolites of polybrominated diphenyl ethers in human blood samples from the United States Environ. Health Perspect. 117, 93-98 10.1289/ehp.11660
-
(2009)
Environ. Health Perspect.
, vol.117
, pp. 93-98
-
-
Qiu, X.1
Bigsby, R.M.2
Hites, R.A.3
-
17
-
-
58049089932
-
Occurrence and congener specific profiles of polybrominated diphenyl ethers and their hydroxylated and methoxylated derivatives in breast milk from Catalonia
-
Lacorte, S. and Ikonomou, M. G. (2009) Occurrence and congener specific profiles of polybrominated diphenyl ethers and their hydroxylated and methoxylated derivatives in breast milk from Catalonia Chemosphere 74, 412-420 10.1016/j.chemosphere.2008.09.050
-
(2009)
Chemosphere
, vol.74
, pp. 412-420
-
-
Lacorte, S.1
Ikonomou, M.G.2
-
18
-
-
79957851357
-
Quantum chemical investigation on the mechanism and kinetics of PBDE photooxidation by ·OH: A case study for BDE-15
-
Zhou, J., Chen, J., Liang, C.-H., Xie, Q., Wang, Y., and Zhang, S. (2011) Quantum chemical investigation on the mechanism and kinetics of PBDE photooxidation by ·OH: A case study for BDE-15 Environ. Sci. Technol. 45, 4839-4845 10.1021/es200087w
-
(2011)
Environ. Sci. Technol.
, vol.45
, pp. 4839-4845
-
-
Zhou, J.1
Chen, J.2
Liang, C.-H.3
Xie, Q.4
Wang, Y.5
Zhang, S.6
-
19
-
-
84860443525
-
Computational toxicological investigation on the mechanism and pathways of xenobiotics metabolized by cytochrome P450: A case of BDE-47
-
Wang, X., Wang, Y., Chen, J., Ma, Y., Zhou, J., and Fu, Z. (2012) Computational toxicological investigation on the mechanism and pathways of xenobiotics metabolized by cytochrome P450: A case of BDE-47 Environ. Sci. Technol. 46, 5126-5133 10.1021/es203718u
-
(2012)
Environ. Sci. Technol.
, vol.46
, pp. 5126-5133
-
-
Wang, X.1
Wang, Y.2
Chen, J.3
Ma, Y.4
Zhou, J.5
Fu, Z.6
-
20
-
-
77951758435
-
Hormone activity of hydroxylated polybrominated diphenyl ethers on human thyroid receptor-beta: In vitro and in silico investigations
-
Li, F., Xie, Q., Li, X., Li, N., Chi, P., Chen, J., Wang, Z., and Hao, C. (2010) Hormone activity of hydroxylated polybrominated diphenyl ethers on human thyroid receptor-beta: in vitro and in silico investigations Environ. Health Perspect. 118, 602-606 10.1289/ehp.0901457
-
(2010)
Environ. Health Perspect.
, vol.118
, pp. 602-606
-
-
Li, F.1
Xie, Q.2
Li, X.3
Li, N.4
Chi, P.5
Chen, J.6
Wang, Z.7
Hao, C.8
-
21
-
-
0036186785
-
Developmental exposure to brominated diphenyl ethers results in thyroid hormone disruption
-
Zhou, T., Taylor, M. M., DeVito, M. J., and Crofton, K. M. (2002) Developmental exposure to brominated diphenyl ethers results in thyroid hormone disruption Toxicol. Sci. 66, 105-116 10.1093/toxsci/66.1.105
-
(2002)
Toxicol. Sci.
, vol.66
, pp. 105-116
-
-
Zhou, T.1
Taylor, M.M.2
Devito, M.J.3
Crofton, K.M.4
-
22
-
-
34548294816
-
Measurement of polybrominated diphenyl ethers and metabolites in mouse plasma after exposure to a commercial pentabromodiphenyl ether mixture
-
Qiu, X., Mercado-Feliciano, M., Bigsby, R. M., and Hites, R. A. (2007) Measurement of polybrominated diphenyl ethers and metabolites in mouse plasma after exposure to a commercial pentabromodiphenyl ether mixture Environ. Health Perspect. 115, 1052-1058 10.1289/ehp.10011
-
(2007)
Environ. Health Perspect.
, vol.115
, pp. 1052-1058
-
-
Qiu, X.1
Mercado-Feliciano, M.2
Bigsby, R.M.3
Hites, R.A.4
-
23
-
-
0242319564
-
Toxic effects of brominated flame retardants in man and in wildlife
-
Darnerud, P. O. (2003) Toxic effects of brominated flame retardants in man and in wildlife Environ. Int. 29, 841-853 10.1016/S0160-4120(03)00107-7
-
(2003)
Environ. Int.
, vol.29
, pp. 841-853
-
-
Darnerud, P.O.1
-
24
-
-
84888033883
-
Inhibition of thyroid hormone sulfotransferase activity by brominated flame retardants and halogenated phenolics
-
Butt, C. M. and Stapleton, H. M. (2013) Inhibition of thyroid hormone sulfotransferase activity by brominated flame retardants and halogenated phenolics Chem. Res. Toxicol. 26, 1692-1702 10.1021/tx400342k
-
(2013)
Chem. Res. Toxicol.
, vol.26
, pp. 1692-1702
-
-
Butt, C.M.1
Stapleton, H.M.2
-
25
-
-
77957865478
-
Structure-based investigation on the binding interaction of hydroxylated polybrominated diphenyl ethers with thyroxine transport proteins
-
Cao, J., Lin, Y., Guo, L., Zhang, A., Wei, Y., and Yang, Y. (2010) Structure-based investigation on the binding interaction of hydroxylated polybrominated diphenyl ethers with thyroxine transport proteins Toxicology 277, 20-28 10.1016/j.tox.2010.08.012
-
(2010)
Toxicology
, vol.277
, pp. 20-28
-
-
Cao, J.1
Lin, Y.2
Guo, L.3
Zhang, A.4
Wei, Y.5
Yang, Y.6
-
26
-
-
54249095556
-
Affinity for thyroid hormone and estrogen receptors of hydroxylated polybrominated diphenyl ethers
-
Kitamura, S., Shinohara, S., Iwase, E., Sugihara, K., Uramaru, N., Shigematsu, H., Fujimoto, N., and Ohta, S. (2008) Affinity for thyroid hormone and estrogen receptors of hydroxylated polybrominated diphenyl ethers J. Health Sci. 54, 607-614 10.1248/jhs.54.607
-
(2008)
J. Health Sci.
, vol.54
, pp. 607-614
-
-
Kitamura, S.1
Shinohara, S.2
Iwase, E.3
Sugihara, K.4
Uramaru, N.5
Shigematsu, H.6
Fujimoto, N.7
Ohta, S.8
-
27
-
-
77954268874
-
Hydroxylated polybrominated diphenyl ethers and bisphenol a in pregnant women and their matching fetuses: Placental transfer and potential risks
-
Wan, Y., Choi, K., Kim, S., Ji, K., Chang, H., Wiseman, S., Jones, P. D., Khim, J. S., Park, S., Park, J., Lam, M. H., and Giesy, J. P. (2010) Hydroxylated polybrominated diphenyl ethers and bisphenol A in pregnant women and their matching fetuses: placental transfer and potential risks Environ. Sci. Technol. 44, 5233-5239 10.1021/es1002764
-
(2010)
Environ. Sci. Technol.
, vol.44
, pp. 5233-5239
-
-
Wan, Y.1
Choi, K.2
Kim, S.3
Ji, K.4
Chang, H.5
Wiseman, S.6
Jones, P.D.7
Khim, J.S.8
Park, S.9
Park, J.10
Lam, M.H.11
Giesy, J.P.12
-
28
-
-
0036018266
-
Mechanism of thyroid hormone action
-
Harvey, C. B. and Williams, G. R. (2002) Mechanism of thyroid hormone action Thyroid 12, 441-446 10.1089/105072502760143791
-
(2002)
Thyroid
, vol.12
, pp. 441-446
-
-
Harvey, C.B.1
Williams, G.R.2
-
29
-
-
0033950142
-
Functions of thyroid hormone receptors in mice
-
Forrest, D. and Vennstrom, B. (2000) Functions of thyroid hormone receptors in mice Thyroid 10, 41-52 10.1089/thy.2000.10.41
-
(2000)
Thyroid
, vol.10
, pp. 41-52
-
-
Forrest, D.1
Vennstrom, B.2
-
30
-
-
84870294603
-
Combined 3D-QSAR, molecular docking and molecular dynamics study on thyroid hormone activity of hydroxylated polybrominated diphenyl ethers to thyroid receptors beta
-
Li, X., Ye, L., Wang, X., Wang, X., Liu, H., Zhu, Y., and Yu, H. (2012) Combined 3D-QSAR, molecular docking and molecular dynamics study on thyroid hormone activity of hydroxylated polybrominated diphenyl ethers to thyroid receptors beta Toxicol. Appl. Pharmacol. 265, 300-307 10.1016/j.taap.2012.08.030
-
(2012)
Toxicol. Appl. Pharmacol.
, vol.265
, pp. 300-307
-
-
Li, X.1
Ye, L.2
Wang, X.3
Wang, X.4
Liu, H.5
Zhu, Y.6
Yu, H.7
-
31
-
-
0001728908
-
Quantum-chemical descriptors in QSAR/QSPR studies
-
Karelson, M., Lobanov, V. S., and Katritzky, A. R. (1996) Quantum-chemical descriptors in QSAR/QSPR studies Chem. Rev. 96, 1027-1044 10.1021/cr950202r
-
(1996)
Chem. Rev.
, vol.96
, pp. 1027-1044
-
-
Karelson, M.1
Lobanov, V.S.2
Katritzky, A.R.3
-
32
-
-
0027265164
-
Estimation of gas-phase hydroxyl radical rate constants of organic-compounds from molecular-orbital calculations
-
Klamt, A. (1993) Estimation of gas-phase hydroxyl radical rate constants of organic-compounds from molecular-orbital calculations Chemosphere 26, 1273-1289 10.1016/0045-6535(93)90181-4
-
(1993)
Chemosphere
, vol.26
, pp. 1273-1289
-
-
Klamt, A.1
-
33
-
-
0030029591
-
Estimation of gas-phase hydroxyl radical rate constants of oxygenated compounds based on molecular orbital calculations
-
Klamt, A. (1996) Estimation of gas-phase hydroxyl radical rate constants of oxygenated compounds based on molecular orbital calculations Chemosphere 32, 717-726 10.1016/0045-6535(95)00352-5
-
(1996)
Chemosphere
, vol.32
, pp. 717-726
-
-
Klamt, A.1
-
34
-
-
66149148957
-
Prediction of the intrinsic hydrogen bond acceptor strength of organic compounds by local molecular parameters
-
Schwöbel, J., Ebert, R.-U., Kühne, R., and Schüürmann, G. (2009) Prediction of the intrinsic hydrogen bond acceptor strength of organic compounds by local molecular parameters J. Chem. Inf. Model. 49, 956-962 10.1021/ci900040z
-
(2009)
J. Chem. Inf. Model.
, vol.49
, pp. 956-962
-
-
Schwöbel, J.1
Ebert, R.-U.2
Kühne, R.3
Schüürmann, G.4
-
35
-
-
66149129318
-
Modeling the H bond donor strength of -OH, -NH, and -CH sites by local molecular parameters
-
Schwöbel, J., Ebert, R.-U., Kühne, R., and Schüürmann, G. (2009) Modeling the H bond donor strength of -OH, -NH, and -CH sites by local molecular parameters J. Comput. Chem. 30, 1454-1464 10.1002/jcc.21166
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 1454-1464
-
-
Schwöbel, J.1
Ebert, R.-U.2
Kühne, R.3
Schüürmann, G.4
-
36
-
-
77957968432
-
Predicting rate constants of OH radical reactions with organic substances - Advances for oxygenated organics through a molecular orbital HF/6-31G∗∗ Approach
-
Böhnhardt, A., Kühne, R., Ebert, R.-U., and Schüürmann, G. (2010) Predicting rate constants of OH radical reactions with organic substances-advances for oxygenated organics through a molecular orbital HF/6-31G∗∗ Approach Theor. Chem. Acc. 127, 355-367 10.1007/s00214-009-0724-8
-
(2010)
Theor. Chem. Acc.
, vol.127
, pp. 355-367
-
-
Böhnhardt, A.1
Kühne, R.2
Ebert, R.-U.3
Schüürmann, G.4
-
38
-
-
77952700588
-
Local electrophilicity predicts the toxicity-relevant reactivity of michael acceptors
-
Wondrousch, D., Böhme, A., Thaens, D., Ost, N., and Schüürmann, G. (2010) Local electrophilicity predicts the toxicity-relevant reactivity of michael acceptors J. Phys. Chem. Lett. 1, 1605-1610 10.1021/jz100247x
-
(2010)
J. Phys. Chem. Lett.
, vol.1
, pp. 1605-1610
-
-
Wondrousch, D.1
Böhme, A.2
Thaens, D.3
Ost, N.4
Schüürmann, G.5
-
39
-
-
0038626673
-
-
revision C.02, Gaussian Inc. Pittsburgh, PA
-
Frisch, M. J. T., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Montgomery, J. A., Vreven, T., Kudin, K. N., Burant, J. C., Millam, J. M., Iyengar, S. S., Tomasi, J., Barone, V., Mennucci, B., Cossi, M., Scalmani, G., Rega, N., Petersson, G. A., Nakatsuji, H., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Klene, M., Li, X., Knox, J. E., Hratchian, H. P., Cross, J. B., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R. E., Yazyev, O., Austin, A. J., Cammi, R., Pompelli, C., Ochterski, J. W., Ayala, P. Y., Morokuma, K., Voth, G. A., Salvador, P., Dannenberg, J. J., Zakrzewski, V. G., Dapprich, S., Daniel, A. D., Strain, M. C., Farkas, O., Malick, D. K., Rabuck, A. D., Raghavavachari, K., Foresman, J. B., Ortiz, J. V., Cui, Q., Baboul, A. G., Clifford, S., Cioslowski, J., Stefanov, B. B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Martin, R. L., Fox, D. J., Keith, T., Al-Laham, M. A., Peng, C., Nanayakkara, A., Challacombe, M., Gill, P. M. W., Johnson, B., Chen, W., Wong, M., Gonzalez, C., and Pople, J. A. (2003) Gaussian 03, revision C.02, Gaussian Inc., Pittsburgh, PA.
-
(2003)
Gaussian 03
-
-
Frisch, M.J.T.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pompelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniel, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.79
Gonzalez, C.80
Pople, J.A.81
more..
-
41
-
-
57549095014
-
External validation and prediction employing the predictive squared correlation coefficient - Test set activity mean vs training set activity mean
-
Schüürmann, G., Ebert, R.-U., Chen, J., Wang, B., and Kühne, R. (2008) External validation and prediction employing the predictive squared correlation coefficient-Test set activity mean vs training set activity mean J. Chem. Inf. Model. 48, 2140-2145 10.1021/ci800253u
-
(2008)
J. Chem. Inf. Model.
, vol.48
, pp. 2140-2145
-
-
Schüürmann, G.1
Ebert, R.-U.2
Chen, J.3
Wang, B.4
Kühne, R.5
-
42
-
-
84972496372
-
Influential observations, high leverage points, and outliers in linear regression
-
Chatterjee, S. and Hadi, A. S. (1986) Influential observations, high leverage points, and outliers in linear regression Stat. Sci. 1, 379-416 10.1214/ss/1177013622
-
(1986)
Stat. Sci.
, vol.1
, pp. 379-416
-
-
Chatterjee, S.1
Hadi, A.S.2
-
43
-
-
84884222633
-
Anionic phenolic compounds bind stronger with transthyretin than their neutral forms: Nonnegligible mechanisms in virtual screening of endocrine disrupting chemicals
-
Yang, X., Xie, H., Chen, J., and Li, X. (2013) Anionic phenolic compounds bind stronger with transthyretin than their neutral forms: Nonnegligible mechanisms in virtual screening of endocrine disrupting chemicals Chem. Res. Toxicol. 26, 1340-1347 10.1021/tx4001557
-
(2013)
Chem. Res. Toxicol.
, vol.26
, pp. 1340-1347
-
-
Yang, X.1
Xie, H.2
Chen, J.3
Li, X.4
-
44
-
-
84884179017
-
The adverse outcome pathway concept: A pragmatic tool in toxicology
-
Vinken, M. (2013) The adverse outcome pathway concept: A pragmatic tool in toxicology Toxicology 312, 158-165 10.1016/j.tox.2013.08.011
-
(2013)
Toxicology
, vol.312
, pp. 158-165
-
-
Vinken, M.1
|