-
2
-
-
78049334073
-
A quantitative nanostructure-activity relationship modeling
-
Fourches D., Pu D., Tassa C., Weissleder R., Shaw S.Y., Mumper R.J., Tropsha A. A quantitative nanostructure-activity relationship modeling. ACS Nano 2010, 4:5703-5712.
-
(2010)
ACS Nano
, vol.4
, pp. 5703-5712
-
-
Fourches, D.1
Pu, D.2
Tassa, C.3
Weissleder, R.4
Shaw, S.Y.5
Mumper, R.J.6
Tropsha, A.7
-
3
-
-
80053909411
-
A comparative QSAR on 1,2,5-thiadiazolidin-3-one 1,1-dioxide compounds as selective inhibitors of human serine proteinases
-
García J., Duchowicz P.R., Rozas M.F., Caram J.A., Mirífico M.V., Fernández F.M., Castro E.A. A comparative QSAR on 1,2,5-thiadiazolidin-3-one 1,1-dioxide compounds as selective inhibitors of human serine proteinases. J. Mol. Graph. Model. 2010, 31:10-19.
-
(2010)
J. Mol. Graph. Model.
, vol.31
, pp. 10-19
-
-
García, J.1
Duchowicz, P.R.2
Rozas, M.F.3
Caram, J.A.4
Mirífico, M.V.5
Fernández, F.M.6
Castro, E.A.7
-
4
-
-
84055200116
-
QSAR study and molecular design of open-chain enaminones as anticonvulsant agents
-
Garro Martinez J.C., Duchowicz P.R., Estrada M.R., Zamarbide G.N., Castro E.A. QSAR study and molecular design of open-chain enaminones as anticonvulsant agents. Int. J. Mol. Sci. 2011, 12:9354-9368.
-
(2011)
Int. J. Mol. Sci.
, vol.12
, pp. 9354-9368
-
-
Garro Martinez, J.C.1
Duchowicz, P.R.2
Estrada, M.R.3
Zamarbide, G.N.4
Castro, E.A.5
-
5
-
-
83655184806
-
QSAR on aryl-piperazine derivatives with activity on malaria
-
Ibezim E., Duchowicz P.R., Ortiz E.V., Castro E.A. QSAR on aryl-piperazine derivatives with activity on malaria. Chemom. Intell. Lab. Syst. 2011, 110:81-88.
-
(2011)
Chemom. Intell. Lab. Syst.
, vol.110
, pp. 81-88
-
-
Ibezim, E.1
Duchowicz, P.R.2
Ortiz, E.V.3
Castro, E.A.4
-
6
-
-
77956425677
-
Nano meets bio at the interface
-
Leszczynski J. Nano meets bio at the interface. Nat. Nanotech. 2010, 5:633-634.
-
(2010)
Nat. Nanotech.
, vol.5
, pp. 633-634
-
-
Leszczynski, J.1
-
7
-
-
84943522648
-
-
OECD, 2006-2010. 〈〉. http://www.oecd.org/env/ehs/nanosafety/47104296.pdf.
-
(2006)
-
-
-
8
-
-
84923326076
-
Quantitative structure-activity relationship (QSAR) prediction of (eco)toxicity of short aliphatic protic ionic liquids
-
Peric B., Sierra J., Martí E., Cruañas R., Garau M.A. Quantitative structure-activity relationship (QSAR) prediction of (eco)toxicity of short aliphatic protic ionic liquids. Ecotoxicol. Environ. Saf. 2015, 115:257-262.
-
(2015)
Ecotoxicol. Environ. Saf.
, vol.115
, pp. 257-262
-
-
Peric, B.1
Sierra, J.2
Martí, E.3
Cruañas, R.4
Garau, M.A.5
-
9
-
-
84943569612
-
-
REACH, 2011. 〈〉. http://ec.europa.eu/environment/chemicals/nanotech/pdf/report_ripon1.pdf.
-
(2011)
-
-
-
10
-
-
84943546454
-
Development of computational models for the prediction of the toxicity of nanomaterials
-
Richarz A.N., Madden J.C., Robinson R.L.M., Lubiński L., Mokshina E., Urbaszek P., Kuz'min V.E., Puzyn T., Cronin M.T.D. Development of computational models for the prediction of the toxicity of nanomaterials. Perspect. Sci. 2015, 3:27-29.
-
(2015)
Perspect. Sci.
, vol.3
, pp. 27-29
-
-
Richarz, A.N.1
Madden, J.C.2
Robinson, R.L.M.3
Lubiński, L.4
Mokshina, E.5
Urbaszek, P.6
Kuz'min, V.E.7
Puzyn, T.8
Cronin, M.T.D.9
-
11
-
-
84934765526
-
Nano-QSPR modelling of carbon-based nanomaterials properties
-
Salahinejad M. Nano-QSPR modelling of carbon-based nanomaterials properties. Curr. Top. Med. Chem. 2015, 15:1868-1886.
-
(2015)
Curr. Top. Med. Chem.
, vol.15
, pp. 1868-1886
-
-
Salahinejad, M.1
-
12
-
-
84901399132
-
3d-QSAR studies on the toxicity of substituted benzenes to Tetrahymena pyriformis: CoMFA, CoMSIA and VolSurf approaches
-
Salahinejad M., Ghasemi J.B. 3d-QSAR studies on the toxicity of substituted benzenes to Tetrahymena pyriformis: CoMFA, CoMSIA and VolSurf approaches. Ecotoxicol. Environ. Saf. 2014, 105:128-134.
-
(2014)
Ecotoxicol. Environ. Saf.
, vol.105
, pp. 128-134
-
-
Salahinejad, M.1
Ghasemi, J.B.2
-
13
-
-
70449519042
-
In vitro and in vivo genotoxicity tests on fullerene C60 nanoparticles
-
Shinohara N., Matsumoto K., Endoh S., Maru J., Nakanishi J. In vitro and in vivo genotoxicity tests on fullerene C60 nanoparticles. Toxicol. Lett. 2009, 191:289-296.
-
(2009)
Toxicol. Lett.
, vol.191
, pp. 289-296
-
-
Shinohara, N.1
Matsumoto, K.2
Endoh, S.3
Maru, J.4
Nakanishi, J.5
-
14
-
-
0037074764
-
QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity
-
Toropov A.A., Toropova A.P. QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity. J. Mol. Struct. THEOCHEM 2002, 578:129-134.
-
(2002)
J. Mol. Struct. THEOCHEM
, vol.578
, pp. 129-134
-
-
Toropov, A.A.1
Toropova, A.P.2
-
15
-
-
0141532937
-
QSPR modeling of alkanes properties based on graph of atomic orbitals
-
Toropov A.A., Toropova A.P. QSPR modeling of alkanes properties based on graph of atomic orbitals. J. Mol. Struct. THEOCHEM 2003, 637:1-10.
-
(2003)
J. Mol. Struct. THEOCHEM
, vol.637
, pp. 1-10
-
-
Toropov, A.A.1
Toropova, A.P.2
-
16
-
-
1842640061
-
QSPR modeling of lipid-water partition coefficient by optimization of correlation weights of local graph invariants
-
Toropov A.A., Roy K. QSPR modeling of lipid-water partition coefficient by optimization of correlation weights of local graph invariants. J. Chem. Inf. Comput. Sci. 2004, 44:179-186.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 179-186
-
-
Toropov, A.A.1
Roy, K.2
-
17
-
-
84900581022
-
Optimal descriptor as a translator of eclectic data into endpoint prediction: Mutagenicity of fullerene as a mathematical function of conditions
-
Toropov A.A., Toropova A.P. Optimal descriptor as a translator of eclectic data into endpoint prediction: Mutagenicity of fullerene as a mathematical function of conditions. Chemosphere 2014, 104:262-264.
-
(2014)
Chemosphere
, vol.104
, pp. 262-264
-
-
Toropov, A.A.1
Toropova, A.P.2
-
18
-
-
84942549197
-
Quasi-SMILES and nano-QFAR: united model for mutagenicity of fullerene and MWCNT under different conditions
-
Toropov A.A., Toropova A.P. Quasi-SMILES and nano-QFAR: united model for mutagenicity of fullerene and MWCNT under different conditions. Chemosphere 2015, 139:18-22.
-
(2015)
Chemosphere
, vol.139
, pp. 18-22
-
-
Toropov, A.A.1
Toropova, A.P.2
-
20
-
-
84909979851
-
Optimal descriptor as a translator of eclectic data into prediction of cytotoxicity for metaloxide nanoparticles under different conditions
-
Toropova A.P., Toropov A.A., Rallo R., Leszczynska D., Leszczynski J. Optimal descriptor as a translator of eclectic data into prediction of cytotoxicity for metaloxide nanoparticles under different conditions. Ecotoxicol. Environ. Saf. 2015, 112:39-45.
-
(2015)
Ecotoxicol. Environ. Saf.
, vol.112
, pp. 39-45
-
-
Toropova, A.P.1
Toropov, A.A.2
Rallo, R.3
Leszczynska, D.4
Leszczynski, J.5
-
21
-
-
79959742537
-
CORAL: quantitative structure-sctivity relationship models for estimating toxicity of organic compounds in rats
-
Toropova A.P., Toropov A.A., Benfenati E., Gini G., Leszczynska D., Leszczynski J. CORAL: quantitative structure-sctivity relationship models for estimating toxicity of organic compounds in rats. J. Comput. Chem. 2011, 32:2727-2733.
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 2727-2733
-
-
Toropova, A.P.1
Toropov, A.A.2
Benfenati, E.3
Gini, G.4
Leszczynska, D.5
Leszczynski, J.6
-
22
-
-
84883786578
-
Optimal descriptor as a translator of eclectic information into the prediction of thermal conductivity of micro-electro-mechanical systems
-
Toropova A.P., Toropov A.A., Puzyn T., Benfenati E., Leszczynska D., Leszczynski J. Optimal descriptor as a translator of eclectic information into the prediction of thermal conductivity of micro-electro-mechanical systems. J. Math. Chem. 2013, 51:2230-2237.
-
(2013)
J. Math. Chem.
, vol.51
, pp. 2230-2237
-
-
Toropova, A.P.1
Toropov, A.A.2
Puzyn, T.3
Benfenati, E.4
Leszczynska, D.5
Leszczynski, J.6
-
24
-
-
84922559830
-
Assessment of bromide-based ionic liquid toxicity toward aquatic organisms and QSAR analysis
-
Wang C., Wei Z., Wang L., Sun P., Wang Z. Assessment of bromide-based ionic liquid toxicity toward aquatic organisms and QSAR analysis. Ecotoxicol. Environ. Saf. 2015, 115:112-118.
-
(2015)
Ecotoxicol. Environ. Saf.
, vol.115
, pp. 112-118
-
-
Wang, C.1
Wei, Z.2
Wang, L.3
Sun, P.4
Wang, Z.5
|