-
2
-
-
74049103774
-
Ionic liquids and catalysis: recent progress from knowledge to applications
-
Bourbigou H.O., Magna L., Morvan D. Ionic liquids and catalysis: recent progress from knowledge to applications. Appl. Catal. A 2010, 373:1-56.
-
(2010)
Appl. Catal. A
, vol.373
, pp. 1-56
-
-
Bourbigou, H.O.1
Magna, L.2
Morvan, D.3
-
3
-
-
0036589086
-
Structure/response correlations and similarity/diversity analysis by getaway descriptors. 1. Theory of the novel 3d molecular descriptors
-
Consonni V., Todeschini R., Pavan M. Structure/response correlations and similarity/diversity analysis by getaway descriptors. 1. Theory of the novel 3d molecular descriptors. J. Chem. Inf. Comput. Sci. 2002, 42:682-692.
-
(2002)
J. Chem. Inf. Comput. Sci.
, vol.42
, pp. 682-692
-
-
Consonni, V.1
Todeschini, R.2
Pavan, M.3
-
4
-
-
22844434823
-
Classification methodologies of multilayer perceptrons with sigmoid activation functions
-
Daqi G., Yan J. Classification methodologies of multilayer perceptrons with sigmoid activation functions. Pattern Recognit. 2005, 38:1469-1482.
-
(2005)
Pattern Recognit.
, vol.38
, pp. 1469-1482
-
-
Daqi, G.1
Yan, J.2
-
5
-
-
17844367313
-
Toxicity and antimicrobial activity of imidazolium and pyridinium ionic liquids
-
Docherty K.M., Kulpa C.F. Toxicity and antimicrobial activity of imidazolium and pyridinium ionic liquids. Green Chem. 2005, 7:185-189.
-
(2005)
Green Chem.
, vol.7
, pp. 185-189
-
-
Docherty, K.M.1
Kulpa, C.F.2
-
6
-
-
77949266582
-
Towards multiscale modeling of ionic liquids: from electronic structure to bulk properties
-
Dommert F., Schmidt J., Krekeler C., Zhao Y.Y., Berger R., Delle Site L., Holm C. Towards multiscale modeling of ionic liquids: from electronic structure to bulk properties. J. Mol. Liq. 2010, 152:2-8.
-
(2010)
J. Mol. Liq.
, vol.152
, pp. 2-8
-
-
Dommert, F.1
Schmidt, J.2
Krekeler, C.3
Zhao, Y.Y.4
Berger, R.5
Delle Site, L.6
Holm, C.7
-
7
-
-
0034583251
-
Ionic liquids green solvents for the future
-
Earle M.J., Seddon K.R. Ionic liquids green solvents for the future. Pure Appl. Chem. 2000, 72:1391-1398.
-
(2000)
Pure Appl. Chem.
, vol.72
, pp. 1391-1398
-
-
Earle, M.J.1
Seddon, K.R.2
-
8
-
-
33947650570
-
ANN expert system screening for illicit amphetamines using molecular descriptors
-
Gosav S., Praisler M., Dorohoi D.O. ANN expert system screening for illicit amphetamines using molecular descriptors. J. Mol. Struct. 2007, 834-836:188-194.
-
(2007)
J. Mol. Struct.
, pp. 188-194
-
-
Gosav, S.1
Praisler, M.2
Dorohoi, D.O.3
-
9
-
-
49449097898
-
Prediction of ionic liquid properties. i. volumetric properties as a function of temperature at 0.1MPa
-
Jacquemin J., Ge R., Nancarrow P., Rooney D.W., Gomes M.F.C., Pádua A.A.H., Hardacre C. Prediction of ionic liquid properties. i. volumetric properties as a function of temperature at 0.1MPa. J. Chem. Eng. Data 2008, 53:716-726.
-
(2008)
J. Chem. Eng. Data
, vol.53
, pp. 716-726
-
-
Jacquemin, J.1
Ge, R.2
Nancarrow, P.3
Rooney, D.W.4
Gomes, M.F.C.5
Pádua, A.A.H.6
Hardacre, C.7
-
10
-
-
5044233366
-
Levenberg-Marquardt methods with strong local convergence properties for solving nonlinear equations with convex constraints
-
Kanzow C., Yamashita N., Fukushima M. Levenberg-Marquardt methods with strong local convergence properties for solving nonlinear equations with convex constraints. J. Comput. Appl. Math. 2004, 172:375-397.
-
(2004)
J. Comput. Appl. Math.
, vol.172
, pp. 375-397
-
-
Kanzow, C.1
Yamashita, N.2
Fukushima, M.3
-
11
-
-
67650446289
-
In vitro cytotoxicities of ionic liquids: effect of cation rings, functional groups, and anions
-
Kumar R.A., Papaïconomou N., Lee J.M., Salminen J., Clark D.S., Prausnitz J.M. In vitro cytotoxicities of ionic liquids: effect of cation rings, functional groups, and anions. Environ. Toxicol. 2009, 24:388-395.
-
(2009)
Environ. Toxicol.
, vol.24
, pp. 388-395
-
-
Kumar, R.A.1
Papaïconomou, N.2
Lee, J.M.3
Salminen, J.4
Clark, D.S.5
Prausnitz, J.M.6
-
12
-
-
65049085697
-
Prediction of rate constants for radical degradation of aromatic pollutants in water matrix: a QSAR study
-
Kusic H., Rasulev B., Leszczynsk D., Leszczynski J., Koprivana N. Prediction of rate constants for radical degradation of aromatic pollutants in water matrix: a QSAR study. Chemosphere 2009, 75:1128-1134.
-
(2009)
Chemosphere
, vol.75
, pp. 1128-1134
-
-
Kusic, H.1
Rasulev, B.2
Leszczynsk, D.3
Leszczynski, J.4
Koprivana, N.5
-
13
-
-
0034213103
-
Basic concepts of artificial neural network (ANN) modeling and its application in pharmaceutical research
-
Kustrin S.A., Beresford R. Basic concepts of artificial neural network (ANN) modeling and its application in pharmaceutical research. J. Pharm. Biomed. Anal. 2000, 22:717-727.
-
(2000)
J. Pharm. Biomed. Anal.
, vol.22
, pp. 717-727
-
-
Kustrin, S.A.1
Beresford, R.2
-
14
-
-
61949358519
-
ρ-T-P prediction for ionic liquids using neural networks
-
Lazzus J.A. ρ-T-P prediction for ionic liquids using neural networks. J. Taiwan Inst. Chem. Eng. 2009, 40:213-232.
-
(2009)
J. Taiwan Inst. Chem. Eng.
, vol.40
, pp. 213-232
-
-
Lazzus, J.A.1
-
15
-
-
34347399582
-
Genetic algorithms in chemistry
-
Leardi R.J. Genetic algorithms in chemistry. J. Chromatogr. A 2007, 1158:226-233.
-
(2007)
J. Chromatogr. A
, vol.1158
, pp. 226-233
-
-
Leardi, R.J.1
-
16
-
-
33645028278
-
On selection of training and test sets for the development of predictive QSAR models
-
Leonard J.T., Roy K. On selection of training and test sets for the development of predictive QSAR models. QSAR Comb. Sci. 2006, 25:235-251.
-
(2006)
QSAR Comb. Sci.
, vol.25
, pp. 235-251
-
-
Leonard, J.T.1
Roy, K.2
-
17
-
-
35648934522
-
The influence of anion species on the toxicity of 1-alkyl-3-methylimidazolium ionic liquids observed in an (eco)toxicological test battery
-
Matzke M., Stolte S., Thiele K., Juffernholz T., Arning J., Ranke J., Welz-Biermannd U., Jastorff B. The influence of anion species on the toxicity of 1-alkyl-3-methylimidazolium ionic liquids observed in an (eco)toxicological test battery. Green Chem. 2007, 9:1198-1207.
-
(2007)
Green Chem.
, vol.9
, pp. 1198-1207
-
-
Matzke, M.1
Stolte, S.2
Thiele, K.3
Juffernholz, T.4
Arning, J.5
Ranke, J.6
Welz-Biermannd, U.7
Jastorff, B.8
-
18
-
-
77951817886
-
QSAR studies of a number of triazole antifungal alcohols
-
Nowaczyk A., Banachiewicz B.M. QSAR studies of a number of triazole antifungal alcohols. Cent. Eur. J. Chem. 2010, 8:440-447.
-
(2010)
Cent. Eur. J. Chem.
, vol.8
, pp. 440-447
-
-
Nowaczyk, A.1
Banachiewicz, B.M.2
-
19
-
-
34249653534
-
Lipophilicity parameters for ionic liquid cations and their correlation to in vitro cytotoxicity
-
Ranke J., Muller A., Weber U.B., Stock F., Stolte S., Arning J., Stormann R., Jastorff B. Lipophilicity parameters for ionic liquid cations and their correlation to in vitro cytotoxicity. Ecotoxicol. Environ. Saf. 2007, 67:430-438.
-
(2007)
Ecotoxicol. Environ. Saf.
, vol.67
, pp. 430-438
-
-
Ranke, J.1
Muller, A.2
Weber, U.B.3
Stock, F.4
Stolte, S.5
Arning, J.6
Stormann, R.7
Jastorff, B.8
-
20
-
-
38349122534
-
Toxicity and biodegradability of imidazolium ionic liquids
-
Romero A., Santos A., Tojo J., Rodriguez A. Toxicity and biodegradability of imidazolium ionic liquids. J. Hazard. Mater. 2008, 151:268-273.
-
(2008)
J. Hazard. Mater.
, vol.151
, pp. 268-273
-
-
Romero, A.1
Santos, A.2
Tojo, J.3
Rodriguez, A.4
-
22
-
-
33745634161
-
Anion effects on the cytotoxicity of ionic liquids
-
Stolte S., Arning J., Bottin-Weber U., Matzke M., Stock F., Thiele K., Uerdingen M., Welz-Biermann U., Jastorffa B., Ranke J. Anion effects on the cytotoxicity of ionic liquids. Green Chem. 2006, 8:621-629.
-
(2006)
Green Chem.
, vol.8
, pp. 621-629
-
-
Stolte, S.1
Arning, J.2
Bottin-Weber, U.3
Matzke, M.4
Stock, F.5
Thiele, K.6
Uerdingen, M.7
Welz-Biermann, U.8
Jastorffa, B.9
Ranke, J.10
-
23
-
-
75849149895
-
Environmental fate and toxicity of ionic liquids: a review
-
Thuy Pham T.P., Cho C.W., Yun Y.S. Environmental fate and toxicity of ionic liquids: a review. Water Res. 2010, 44:352-372.
-
(2010)
Water Res.
, vol.44
, pp. 352-372
-
-
Thuy Pham, T.P.1
Cho, C.W.2
Yun, Y.S.3
-
24
-
-
36048955753
-
Estimation of ionic conductivity and viscosity of ionic liquids using a QSPR model
-
Tochigi K., Yamamoto H. Estimation of ionic conductivity and viscosity of ionic liquids using a QSPR model. J. Phys. Chem. C 2007, 111:15989-15994.
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 15989-15994
-
-
Tochigi, K.1
Yamamoto, H.2
-
26
-
-
61349143654
-
Estimation of toxicity of ionic liquids in Leukemia Rat Cell Line and Acetylcholinesterase enzyme by principal component analysis, neural networks and multiple lineal regressions
-
Torrecilla J.S., Garcia J., Rojo E., Rodriguez F. Estimation of toxicity of ionic liquids in Leukemia Rat Cell Line and Acetylcholinesterase enzyme by principal component analysis, neural networks and multiple lineal regressions. J. Hazard. Mater. 2009, 164:182-194.
-
(2009)
J. Hazard. Mater.
, vol.164
, pp. 182-194
-
-
Torrecilla, J.S.1
Garcia, J.2
Rojo, E.3
Rodriguez, F.4
-
27
-
-
77149146806
-
A quantum-chemical-based guide to analyze/quantify the cytotoxicity of ionic liquids
-
Torrecilla J.S., Palomar J., Lemus J., Rodri{dotless}guez F. A quantum-chemical-based guide to analyze/quantify the cytotoxicity of ionic liquids. Green Chem. 2010, 12:123-134.
-
(2010)
Green Chem.
, vol.12
, pp. 123-134
-
-
Torrecilla, J.S.1
Palomar, J.2
Lemus, J.3
Rodriguez, F.4
-
28
-
-
0038724207
-
The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models
-
Tropsha A., Gramatica P., gombar V.K. The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models. QSAR Comb. Sci. 2003, 22:69-77.
-
(2003)
QSAR Comb. Sci.
, vol.22
, pp. 69-77
-
-
Tropsha, A.1
Gramatica, P.2
gombar, V.K.3
-
29
-
-
77949570108
-
QSAR correlation of the melting points for imidazolium bromides and imidazolium chlorides ionic liquids
-
Yan C., Han M., Wan H., Guan G. QSAR correlation of the melting points for imidazolium bromides and imidazolium chlorides ionic liquids. Fluid Phase Equilib. 2010, 292:104-109.
-
(2010)
Fluid Phase Equilib.
, vol.292
, pp. 104-109
-
-
Yan, C.1
Han, M.2
Wan, H.3
Guan, G.4
|