-
1
-
-
0004257141
-
Silent spring
-
Boston: Houghton Mifflin
-
Carson R. Silent spring. Boston: Houghton Mifflin, 1962.
-
(1962)
-
-
Carson, R.1
-
2
-
-
0035756635
-
QSAR modeling of large heterogeneous sets of molecules
-
Devillers J. QSAR modeling of large heterogeneous sets of molecules. SAR QSAR Environ Res 2001;12:515-28.
-
(2001)
SAR QSAR Environ Res
, vol.12
, pp. 515-528
-
-
Devillers, J.1
-
3
-
-
84889614301
-
-
Chemical Abstracts Services
-
Chemical Abstracts Services .
-
-
-
-
4
-
-
0042093888
-
QSARs in the assessment of the environmental fate and effects of chemicals
-
Anonymous., Technical report 74. Brussels: ECETOC
-
Anonymous. QSARs in the assessment of the environmental fate and effects of chemicals. Technical report 74. Brussels: ECETOC, 1998.
-
(1998)
-
-
-
5
-
-
0004246746
-
Ecotoxicity of chemicals to amphibians
-
Reading, MA: Gordon and Breach
-
Devillers J, Exbrayat JM. Ecotoxicity of chemicals to amphibians. Reading, MA: Gordon and Breach, 1992.
-
(1992)
-
-
Devillers, J.1
Exbrayat, J.M.2
-
6
-
-
0003547555
-
Ecotoxicity of chemicals to Photobacterium phospho-reum
-
Reading, MA: Gordon and Breach
-
Kaiser KLE, Devillers J. Ecotoxicity of chemicals to Photobacterium phospho-reum. Reading, MA: Gordon and Breach, 1994.
-
(1994)
-
-
Kaiser, K.L.E.1
Devillers, J.2
-
7
-
-
0003926698
-
Manual of acute toxicity: Interpretation and data base for 410 chemicals and 66 species of freshwater animals
-
US Fish Wildlife Service, Resource Publ.
-
Mayer FL, Ellersieck MR. Manual of acute toxicity: Interpretation and data base for 410 chemicals and 66 species of freshwater animals. US Fish Wildlife Service, Resource Publ. 160, 1986.
-
(1986)
, pp. 160
-
-
Mayer, F.L.1
Ellersieck, M.R.2
-
8
-
-
0005745018
-
Environmental information databases
-
In: Schleyer PvR, Allinger NL, Clark T, Gasteiger J, Kollman PA, Schaefer HF, Schreiner PR, editors., New York: Wiley
-
Voigt, K. Environmental information databases. In: Schleyer PvR, Allinger NL, Clark T, Gasteiger J, Kollman PA, Schaefer HF, Schreiner PR, editors. The encyclopedia of computational chemistry, Vol. 2. New York: Wiley, 1998. p. 941-52.
-
(1998)
The encyclopedia of computational chemistry
, vol.2
, pp. 941-952
-
-
Voigt, K.1
-
9
-
-
84889613981
-
Factual information databases
-
In: Schleyer PvR, Allinger NL, Clark T, Gasteiger J, Kollman PA, Schaefer HF, Schreiner PR, editors., New York: Wiley
-
Lawson AJ, Jochum CJ. Factual information databases. In: Schleyer PvR, Allinger NL, Clark T, Gasteiger J, Kollman PA, Schaefer HF, Schreiner PR, editors. The encyclopedia of computational chemistry, Vol. 2. New York: Wiley, 1998. p. 983-1002.
-
(1998)
The encyclopedia of computational chemistry
, vol.2
, pp. 983-1002
-
-
Lawson, A.J.1
Jochum, C.J.2
-
10
-
-
0035846968
-
Using internet search engines and library catalogs to locate toxicology information
-
Dassler WL. Using internet search engines and library catalogs to locate toxicology information. Toxicol 2001;157:121-39.
-
(2001)
Toxicol
, vol.157
, pp. 121-139
-
-
Dassler, W.L.1
-
11
-
-
0036491014
-
Efficiency of 22 online databases in the search for physicochemical, toxicological and ecotoxicological information on chemicals
-
Guerbet M, Guyodo G. Efficiency of 22 online databases in the search for physicochemical, toxicological and ecotoxicological information on chemicals. An Occup Hyg 2002;46:261-8.
-
(2002)
An Occup Hyg
, vol.46
, pp. 261-268
-
-
Guerbet, M.1
Guyodo, G.2
-
12
-
-
0003476917
-
3D QSAR in drug design: Theory, methods and applications
-
Leiden: ESCOM
-
Kubinyi H. 3D QSAR in drug design: Theory, methods and applications. Leiden: ESCOM, 1993.
-
(1993)
-
-
Kubinyi, H.1
-
13
-
-
0001842742
-
Physico-chemical descriptors
-
In: Karcher W, Devillers J, editors,, Dordrecht: Kluwer Academic
-
Dearden JC. Physico-chemical descriptors. In: Karcher W, Devillers J, editors, Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology. Dordrecht: Kluwer Academic, 1990. p. 25-59.
-
(1990)
Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology
, pp. 25-59
-
-
Dearden, J.C.1
-
14
-
-
0003955925
-
Exploring QSAR: Fundamentals and applications in chemistry and biology
-
Washington: American Chemical Society
-
Hansch C, Leo A. Exploring QSAR: Fundamentals and applications in chemistry and biology. Washington: American Chemical Society, 1995.
-
(1995)
-
-
Hansch, C.1
Leo, A.2
-
15
-
-
0003670171
-
Lipophilicity in drug action and toxicology
-
Weinheim: VCH
-
Pliska V, Testa B, van de Waterbeemd H. Lipophilicity in drug action and toxicology. Weinheim: VCH, 1996.
-
(1996)
-
-
Pliska, V.1
Testa, B.2
Van De Waterbeemd, H.3
-
16
-
-
33749000228
-
A new substituent constant, π, derived from partition coefficients
-
Fujita T, Iwasa J, Hansch C. A new substituent constant, π, derived from partition coefficients. J Am Chem Soc 1964;86:5175-80.
-
(1964)
J Am Chem Soc
, vol.86
, pp. 5175-5180
-
-
Fujita, T.1
Iwasa, J.2
Hansch, C.3
-
17
-
-
24544469216
-
oct from structures
-
oct from structures. Chem Rev 1993;93:1281-306.
-
(1993)
Chem Rev
, vol.93
, pp. 1281-1306
-
-
Leo, A.1
-
18
-
-
0004039901
-
Octanol-water partition coefficients: Fundamentals and physical chemistry
-
Wiley Series in Solution Chemistry,, New York: Wiley
-
Sangster J. Octanol-water partition coefficients: Fundamentals and physical chemistry. Wiley Series in Solution Chemistry, Vol. 2. New York: Wiley, 1997.
-
(1997)
, vol.2
-
-
Sangster, J.1
-
19
-
-
0029585123
-
Atom/fragment contribution method for estimating octanol-water partition coefficients
-
Meylan WM, Howard PH. Atom/fragment contribution method for estimating octanol-water partition coefficients. J Pharm Sci 1995;84:83-92.
-
(1995)
J Pharm Sci
, vol.84
, pp. 83-92
-
-
Meylan, W.M.1
Howard, P.H.2
-
20
-
-
0028464119
-
Computer automated log P calculations based on an extended group contribution approach
-
Klopman G, Li JY, Wang S, Dimayuga M. Computer automated log P calculations based on an extended group contribution approach. J Chem Inf Comput Sci 1994;34:752-81.
-
(1994)
J Chem Inf Comput Sci
, vol.34
, pp. 752-781
-
-
Klopman, G.1
Li, J.Y.2
Wang, S.3
Dimayuga, M.4
-
22
-
-
0036757804
-
Application of associative neural networks for prediction of lipophilicity in ALOGPS 2.1 program
-
Tetko IV, Tanchuk VY. Application of associative neural networks for prediction of lipophilicity in ALOGPS 2.1 program. J Chem Inf Comput Sci 2002; 42:1136-45.
-
(2002)
J Chem Inf Comput Sci
, vol.42
, pp. 1136-1145
-
-
Tetko, I.V.1
Tanchuk, V.Y.2
-
23
-
-
0033051062
-
AUTOLOGP™: A computer tool for simulating n-octanol-water partition coefficients
-
Devillers J. AUTOLOGP™: A computer tool for simulating n-octanol-water partition coefficients. Analusis 1999;27:23-9.
-
(1999)
Analusis
, vol.27
, pp. 23-29
-
-
Devillers, J.1
-
24
-
-
33947485697
-
A mathematical contribution to structure-activity studies
-
Free SM, Wilson JW. A mathematical contribution to structure-activity studies. J Med Chem 1964;7:395-9.
-
(1964)
J Med Chem
, vol.7
, pp. 395-399
-
-
Free, S.M.1
Wilson, J.W.2
-
25
-
-
0030057621
-
QSAR study of the toxicity of benzothiazo-lium salts against Euglena gracilis: The free-Wilson approach
-
Zahradnik P, Foltinova P, Halgas J. QSAR study of the toxicity of benzothiazo-lium salts against Euglena gracilis: The free-Wilson approach. SAR QSAR Environ Res 1996;5:51-6.
-
(1996)
SAR QSAR Environ Res
, vol.5
, pp. 51-56
-
-
Zahradnik, P.1
Foltinova, P.2
Halgas, J.3
-
26
-
-
0001207951
-
Structure-activity relationship studies on the toxici-ties of benzene derivatives: I. An additivity model
-
Hall LH, Kier LB, Phipps G. Structure-activity relationship studies on the toxici-ties of benzene derivatives: I. An additivity model. Environ Toxicol Chem 1984;3:355-65.
-
(1984)
Environ Toxicol Chem
, vol.3
, pp. 355-365
-
-
Hall, L.H.1
Kier, L.B.2
Phipps, G.3
-
27
-
-
0000081251
-
Structure-activity relationship studies on the toxicities of benzene derivatives: II. An analysis of benzene substituent effects on toxicity
-
Hall LH, Kier LB. Structure-activity relationship studies on the toxicities of benzene derivatives: II. An analysis of benzene substituent effects on toxicity. Environ Toxicol Chem 1986;5:333-7.
-
(1986)
Environ Toxicol Chem
, vol.5
, pp. 333-337
-
-
Hall, L.H.1
Kier, L.B.2
-
28
-
-
0024820481
-
The stochastic regression analysis as a tool in ecotoxicological QSAR studies
-
Devillers J, Zakarya D, Chastrette M, Doré JC. The stochastic regression analysis as a tool in ecotoxicological QSAR studies. Biomed Environ Sci 1989;2:385-93.
-
(1989)
Biomed Environ Sci
, vol.2
, pp. 385-393
-
-
Devillers, J.1
Zakarya, D.2
Chastrette, M.3
Doré, J.C.4
-
29
-
-
0003816887
-
Molecular connectivity in structure-activity analysis
-
Letch-worth: Wiley
-
Kier LB, Hall LH. Molecular connectivity in structure-activity analysis. Letch-worth: Wiley, 1986.
-
(1986)
-
-
Kier, L.B.1
Hall, L.H.2
-
30
-
-
0004100524
-
Molecular structure description: The electrotopological state
-
New York: Academic Press
-
Kier LB, Hall LH. Molecular structure description: The electrotopological state. New York: Academic Press, 1999.
-
(1999)
-
-
Kier, L.B.1
Hall, L.H.2
-
31
-
-
0003490551
-
Topological indices and related descriptors in QSAR and QSPR
-
Amsterdam: Gordon and Breach
-
Devillers J, Balaban AT. Topological indices and related descriptors in QSAR and QSPR. Amsterdam: Gordon and Breach, 1999.
-
(1999)
-
-
Devillers, J.1
Balaban, A.T.2
-
32
-
-
8344262895
-
Calculation of physicochemical properties
-
In: Cronin MTD, Livingstone DJ, editors,, Boca Raton, FL: CRC Press
-
Cronin MTD, Livingstone DJ. Calculation of physicochemical properties. In: Cronin MTD, Livingstone DJ, editors, Predicting chemical toxicity and fate. Boca Raton, FL: CRC Press, 2004. p. 31-40.
-
(2004)
Predicting chemical toxicity and fate
, pp. 31-40
-
-
Cronin, M.T.D.1
Livingstone, D.J.2
-
33
-
-
33845961644
-
Good practice in physicochemical property prediction
-
In: Cronin MTD, Livingstone DJ, editors,, Boca Raton, FL: CRC Press
-
Fisk PR, McLaughlin L, Wildey RJ. Good practice in physicochemical property prediction. In: Cronin MTD, Livingstone DJ, editors, Predicting chemical toxicity and fate. Boca Raton, FL: CRC Press, 2004. p. 41-59.
-
(2004)
Predicting chemical toxicity and fate
, pp. 41-59
-
-
Fisk, P.R.1
McLaughlin, L.2
Wildey, R.J.3
-
34
-
-
4444229327
-
Quantum chemical descriptors in structure-activity relationships: Calculation, interpretation, and comparison of methods
-
In: Cronin MTD, Livingstone DJ, editors,, Boca Raton, FL: CRC Press
-
Schüürmann G. Quantum chemical descriptors in structure-activity relationships: Calculation, interpretation, and comparison of methods. In: Cronin MTD, Livingstone DJ, editors, Predicting chemical toxicity and fate. Boca Raton, FL: CRC Press, 2004. p. 85-149.
-
(2004)
Predicting chemical toxicity and fate
, pp. 85-149
-
-
Schüürmann, G.1
-
35
-
-
0003490551
-
No-free-lunch molecular descriptors in QSAR and QSPR
-
In: Devillers J, Balaban AT, editors,, Amsterdam: Gordon and Breach
-
Devillers J. No-free-lunch molecular descriptors in QSAR and QSPR. In: Devillers J, Balaban AT, editors, Topological indices and related descriptors in QSAR and QSPR. Amsterdam: Gordon and Breach, 1999. p. 1-20.
-
(1999)
Topological indices and related descriptors in QSAR and QSPR
, pp. 1-20
-
-
Devillers, J.1
-
36
-
-
0033934394
-
New trends in (Q)SAR modeling with topological indices
-
Devillers J. New trends in (Q)SAR modeling with topological indices. Curr Opin Drug Discov Dev 2000;3:275-9.
-
(2000)
Curr Opin Drug Discov Dev
, vol.3
, pp. 275-279
-
-
Devillers, J.1
-
37
-
-
1842803509
-
Whole molecule and atom-based topological descriptors
-
In: Cronin MTD, Livingstone DJ, editors,, Boca Raton, FL: CRC Press
-
Netzeva TI. Whole molecule and atom-based topological descriptors. In: Cronin MTD, Livingstone DJ, editors, Predicting chemical toxicity and fate. Boca Raton, FL: CRC Press, 2004. p. 61-83.
-
(2004)
Predicting chemical toxicity and fate
, pp. 61-83
-
-
Netzeva, T.I.1
-
38
-
-
0027332764
-
Chemometrical evaluation of multispecies-multichemical data by means of graphical techniques combined with multivariate analyses
-
Devillers J, Thioulouse J, Karcher W. Chemometrical evaluation of multispecies-multichemical data by means of graphical techniques combined with multivariate analyses. Ecotoxicol Environ Safety 1993;26:333-45.
-
(1993)
Ecotoxicol Environ Safety
, vol.26
, pp. 333-345
-
-
Devillers, J.1
Thioulouse, J.2
Karcher, W.3
-
39
-
-
85162960613
-
Non-linear mapping for struc-ture-activity and structure-property modelling
-
Domine D, Devillers J, Chastrette M, Karcher W. Non-linear mapping for struc-ture-activity and structure-property modelling. J Chemom 1993;7:227-42.
-
(1993)
J Chemom
, vol.7
, pp. 227-242
-
-
Domine, D.1
Devillers, J.2
Chastrette, M.3
Karcher, W.4
-
40
-
-
8344277344
-
Building QSAR models: A practical guide
-
In: Cronin MTD, Livingstone DJ, editors,, Boca Raton, FL: CRC Press
-
Livingstone DJ. Building QSAR models: A practical guide. In: Cronin MTD, Livingstone DJ, editors, Predicting chemical toxicity and fate. Boca Raton, FL: CRC Press, 2004. p. 151-70.
-
(2004)
Predicting chemical toxicity and fate
, pp. 151-170
-
-
Livingstone, D.J.1
-
41
-
-
84889624471
-
Statistical analyses in drug design and environmental chemistry: Basic concepts
-
In: Coccini T, Giannoni L, Karcher W, Manzo L and R. Roi R, editors,, JRC-Ispra: CEC
-
Devillers J. Statistical analyses in drug design and environmental chemistry: Basic concepts. In: Coccini T, Giannoni L, Karcher W, Manzo L and R. Roi R, editors, Quantitative structure/activity relationships (QSAR) in toxicology. JRC-Ispra: CEC, 1992. p. 27-41.
-
(1992)
Quantitative structure/activity relationships (QSAR) in toxicology
, pp. 27-41
-
-
Devillers, J.1
-
42
-
-
0043175454
-
Multivariate latent variable projection methods: SIMCA and PLS
-
In: Karcher W, Devillers J, editors., Dordrecht: Kluwer Academic Press
-
Geladi P, Tosato ML. Multivariate latent variable projection methods: SIMCA and PLS. In: Karcher W, Devillers J, editors. Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology. Dordrecht: Kluwer Academic Press, 1990. p. 171-9.
-
(1990)
Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology
, pp. 171-179
-
-
Geladi, P.1
Tosato, M.L.2
-
43
-
-
0003666730
-
Neural networks in QSAR and drug design
-
London: Academic Press
-
Devillers J. Neural networks in QSAR and drug design. London: Academic Press, 1996.
-
(1996)
-
-
Devillers, J.1
-
44
-
-
0022471098
-
Learning representations by back-propagating errors
-
Rumelhart DE, Hinton GE, Williams RJ. Learning representations by back-propagating errors. Nature 1986;323:533-6.
-
(1986)
Nature
, vol.323
, pp. 533-536
-
-
Rumelhart, D.E.1
Hinton, G.E.2
Williams, R.J.3
-
45
-
-
30944450883
-
On the necessity of multivariate statistical tools for modeling biodegradation
-
In: Ford MG, Greenwood R, Brooks CT, Franke R, editors,, Oxford: BIOS Scientific Publishers
-
Devillers, J. On the necessity of multivariate statistical tools for modeling biodegradation. In: Ford MG, Greenwood R, Brooks CT, Franke R, editors, Bioactive compound design: Possibilities for industrial use. Oxford: BIOS Scientific Publishers, 1996. p. 173-86.
-
(1996)
Bioactive compound design: Possibilities for industrial use
, pp. 173-186
-
-
Devillers, J.1
-
46
-
-
0028293035
-
A nonlinear map of substituent constants for selecting test series and deriving structure-activity relationships: I. Aromatic series
-
Domine D, Devillers J, Chastrette M. A nonlinear map of substituent constants for selecting test series and deriving structure-activity relationships: I. Aromatic series. J Med Chem 1994;37:973-80.
-
(1994)
J Med Chem
, vol.37
, pp. 973-980
-
-
Domine, D.1
Devillers, J.2
Chastrette, M.3
-
47
-
-
0028202868
-
A nonlinear map of substituent constants for selecting test series and deriving structure-activity relationships: II. Aliphatic series
-
Domine D, Devillers J, Chastrette M. A nonlinear map of substituent constants for selecting test series and deriving structure-activity relationships: II. Aliphatic series. J Med Chem 1994;37:981-7.
-
(1994)
J Med Chem
, vol.37
, pp. 981-987
-
-
Domine, D.1
Devillers, J.2
Chastrette, M.3
-
49
-
-
0004150778
-
Genetic selection of aromatic substituents for designing test series
-
In: Devillers J, editors,, London: Academic Press
-
Putavy C, Devillers J, Domine D. Genetic selection of aromatic substituents for designing test series. In: Devillers J, editors, Genetic algorithms in molecular modeling. London: Academic Press, 1996. p. 243-69.
-
(1996)
Genetic algorithms in molecular modeling
, pp. 243-269
-
-
Putavy, C.1
Devillers, J.2
Domine, D.3
-
50
-
-
0003991665
-
An introduction to the bootstrap
-
New York: Chapman and Hall
-
Efron B, Tibshirani RJ. An introduction to the bootstrap. New York: Chapman and Hall, 1993.
-
(1993)
-
-
Efron, B.1
Tibshirani, R.J.2
-
51
-
-
85101445097
-
Applied regression analysis
-
2 edition. New York: Wiley
-
Draper N, Smith H. Applied regression analysis, 2 edition. New York: Wiley, 1981.
-
(1981)
-
-
Draper, N.1
Smith, H.2
-
52
-
-
0242301319
-
Practical applications of regression analysis in environmental QSAR studies
-
In: Karcher W, Devillers J, editors,, Dordrecht: Kluwer Academic
-
Devillers J, Lipnick RL. Practical applications of regression analysis in environmental QSAR studies. In: Karcher W, Devillers J, editors, Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology. Dordrecht: Kluwer Academic, 1990. p. 129-43.
-
(1990)
Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology
, pp. 129-143
-
-
Devillers, J.1
Lipnick, R.L.2
-
53
-
-
0026340858
-
Outliers: Their origin and use in the classification of molecular mechanisms of toxicity
-
In: Hermens JLM, Opperhuizen A, editors,, Amsterdam: Elsevier
-
Lipnick RL. Outliers: Their origin and use in the classification of molecular mechanisms of toxicity. In: Hermens JLM, Opperhuizen A, editors, QSAR in environmental toxicology-IV. Amsterdam: Elsevier, 1991. p. 131-53.
-
(1991)
QSAR in environmental toxicology-IV
, pp. 131-153
-
-
Lipnick, R.L.1
-
54
-
-
0014138775
-
Use of Daphnia magna for the microbioassay of pesticides: I. Development of standardized techniques for rearing Daphnia and preparation of dosage-mortality curves for pesticides
-
Frear DEH, Boyd JE. Use of Daphnia magna for the microbioassay of pesticides: I. Development of standardized techniques for rearing Daphnia and preparation of dosage-mortality curves for pesticides. J Econ Entomol 1967;60:1228-35.
-
(1967)
J Econ Entomol
, vol.60
, pp. 1228-1235
-
-
Frear, D.E.H.1
Boyd, J.E.2
-
55
-
-
0028763687
-
Verification, validation and confirmation of numerical models in the earth science
-
Oreskes N, Shrader-Frechette K, Belitz K. Verification, validation and confirmation of numerical models in the earth science. Science 1994;263:641-6.
-
(1994)
Science
, vol.263
, pp. 641-646
-
-
Oreskes, N.1
Shrader-Frechette, K.2
Belitz, K.3
-
56
-
-
0002251602
-
A general QSAR model for predicting the toxicity of organic chemicals to luminescent bacteria (Microtox® test)
-
Devillers J, Bintein S, Domine D, Karcher W. A general QSAR model for predicting the toxicity of organic chemicals to luminescent bacteria (Microtox® test). SAR QSAR Environ Res 1995;4:29-38.
-
(1995)
SAR QSAR Environ Res
, vol.4
, pp. 29-38
-
-
Devillers, J.1
Bintein, S.2
Domine, D.3
Karcher, W.4
-
57
-
-
0142089677
-
Overview of data and conceptual approaches for derivation of quantitative structure-activity relationships for ecotoxicological effects of organic chemicals
-
Bradbury SP, Russom CL, Ankley GT, Schultz TW, Walker JD. Overview of data and conceptual approaches for derivation of quantitative structure-activity relationships for ecotoxicological effects of organic chemicals. Environ Toxicol Chem 2003;22:1789-98.
-
(2003)
Environ Toxicol Chem
, vol.22
, pp. 1789-1798
-
-
Bradbury, S.P.1
Russom, C.L.2
Ankley, G.T.3
Schultz, T.W.4
Walker, J.D.5
-
58
-
-
0021043941
-
Effects of selected chemicals to Photobacterium phospho-reum bacteria and their correlations with acute and sublethal effects on other organisms
-
Ribo JM, Kaiser KLE. Effects of selected chemicals to Photobacterium phospho-reum bacteria and their correlations with acute and sublethal effects on other organisms. Chemosphere 1983;12:1421-42.
-
(1983)
Chemosphere
, vol.12
, pp. 1421-1442
-
-
Ribo, J.M.1
Kaiser, K.L.E.2
-
59
-
-
0021554660
-
QSAR on chlorophenols, chlorobenzenes and para-substituted phenols
-
In: Kaiser KLE, editor,, Dordrech: Reidel
-
Kaiser KLE, Dixon DG, Hodson PV. QSAR on chlorophenols, chlorobenzenes and para-substituted phenols. In: Kaiser KLE, editor, QSAR in environmental toxicology. Dordrech: Reidel, 1984. p. 189-206.
-
(1984)
QSAR in environmental toxicology
, pp. 189-206
-
-
Kaiser, K.L.E.1
Dixon, D.G.2
Hodson, P.V.3
-
60
-
-
0022917561
-
Toxicité aiguë des chlorophénols sur Daphnia magna et Brachydanio rerio
-
Devillers J, Chambon P. Toxicité aiguë des chlorophénols sur Daphnia magna et Brachydanio rerio. J Fr Hydrol 1986;17:111-20.
-
(1986)
J Fr Hydrol
, vol.17
, pp. 111-120
-
-
Devillers, J.1
Chambon, P.2
-
61
-
-
2642677085
-
Toxicity of para-chloro substituted benzene derivatives in the Microtox™ test
-
Kaiser KLE, Ribo JM, Zaruk BM. Toxicity of para-chloro substituted benzene derivatives in the Microtox™ test. Water Poll Res J Canada 1985;20:36-43.
-
(1985)
Water Poll Res J Canada
, vol.20
, pp. 36-43
-
-
Kaiser, K.L.E.1
Ribo, J.M.2
Zaruk, B.M.3
-
62
-
-
84889614651
-
Fish acute toxicity syndromes: Applications to the development of mechanism-specific QSARs
-
In: Turner JE, England MW, Schultz TW, Kwaak NJ, editors,, 22-26 May, Knoxville, TN.
-
Bradbury SP. Fish acute toxicity syndromes: Applications to the development of mechanism-specific QSARs. In: Turner JE, England MW, Schultz TW, Kwaak NJ, editors, QSAR88, 3rd International Workshop on Quantitative Structure-Activity Relationships in Environmental Toxicology. 22-26 May 1988, Knoxville, TN. p. 61-70.
-
(1988)
QSAR88, 3rd International Workshop on Quantitative Structure-Activity Relationships in Environmental Toxicology
, pp. 61-70
-
-
Bradbury, S.P.1
-
63
-
-
0002300921
-
Fish acute toxicity syndromes in the development of mechanism-specific QSARs
-
In: Karcher W, Devillers J, editors,, Dordrecht: Kluwer Academic
-
Bradbury SP, Henry TR, Carlson RW. Fish acute toxicity syndromes in the development of mechanism-specific QSARs. In: Karcher W, Devillers J, editors, Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology. Dordrecht: Kluwer Academic, 1990. p. 295-315.
-
(1990)
Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology
, pp. 295-315
-
-
Bradbury, S.P.1
Henry, T.R.2
Carlson, R.W.3
-
64
-
-
0013124597
-
Narcosis: Fundamental and baseline toxicity mechanism for nonelectrolyte organic chemicals
-
In: Karcher W, Devillers J, editors,, Dordrecht: Kluwer Academic
-
Lipnick RL. Narcosis: Fundamental and baseline toxicity mechanism for nonelectrolyte organic chemicals. In: Karcher W, Devillers J, editors, Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology. Dordrecht: Kluwer Academic, 1990. p. 281-93.
-
(1990)
Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology
, pp. 281-293
-
-
Lipnick, R.L.1
-
65
-
-
0037923580
-
Predictions of the aquatic toxicity of high-production-volume-chemicals: Part A. Introduction and methodology
-
The Hague: VROM
-
Bol J, Verhaar HJM, van Leeuwen CJ, Hermens JLM. Predictions of the aquatic toxicity of high-production-volume-chemicals: Part A. Introduction and methodology. The Hague: VROM, 1993.
-
(1993)
-
-
Bol, J.1
Verhaar, H.J.M.2
Van Leeuwen, C.J.3
Hermens, J.L.M.4
-
66
-
-
0028679436
-
Predicting modes of toxic action from chemical structure: An overview
-
Bradbury SP. Predicting modes of toxic action from chemical structure: An overview. SAR QSAR Environ Res 1994;2:89-104.
-
(1994)
SAR QSAR Environ Res
, vol.2
, pp. 89-104
-
-
Bradbury, S.P.1
-
67
-
-
0030981036
-
Predicting modes of toxic action from chemical structure: Acute toxicity in the Fathead minnow (Pimephales promelas)
-
Russom CL, Bradbury SP, Broderius SJ, Hammermeister DE, Drummond RA. Predicting modes of toxic action from chemical structure: Acute toxicity in the Fathead minnow (Pimephales promelas). Environ Toxicol Chem 1997; 16:948-67.
-
(1997)
Environ Toxicol Chem
, vol.16
, pp. 948-967
-
-
Russom, C.L.1
Bradbury, S.P.2
Broderius, S.J.3
Hammermeister, D.E.4
Drummond, R.A.5
-
68
-
-
0031799568
-
A comparative study of molecular similarity, statistical, and neural methods for predicting toxic modes of action
-
Basak SC, Grunwald GD, Host GE, Niemi GJ, Bradbury SP. A comparative study of molecular similarity, statistical, and neural methods for predicting toxic modes of action. Environ Toxicol Chem 1998;17:1056-64.
-
(1998)
Environ Toxicol Chem
, vol.17
, pp. 1056-1064
-
-
Basak, S.C.1
Grunwald, G.D.2
Host, G.E.3
Niemi, G.J.4
Bradbury, S.P.5
-
69
-
-
0036270871
-
Multivariate discrimination between modes of toxic action of phenols
-
Aptula AO, Netzeva TI, Valkova IV, Cronin MTD, Schultz TW, Kühne R, Schüürmann G. Multivariate discrimination between modes of toxic action of phenols. Quant Struct-Act Relat 2002;21:12-22.
-
(2002)
Quant Struct-Act Relat
, vol.21
, pp. 12-22
-
-
Aptula, A.O.1
Netzeva, T.I.2
Valkova, I.V.3
Cronin, M.T.D.4
Schultz, T.W.5
Kühne, R.6
Schüürmann, G.7
-
70
-
-
13844318087
-
Use of structure descriptors to discriminate between modes of toxic action of phenols
-
Spycher S, Pellegrini E, Gasteiger J. Use of structure descriptors to discriminate between modes of toxic action of phenols. J Chem Inf Model 2005;45:200-8.
-
(2005)
J Chem Inf Model
, vol.45
, pp. 200-208
-
-
Spycher, S.1
Pellegrini, E.2
Gasteiger, J.3
-
71
-
-
15744367392
-
Comparative classification study of toxicity mechanisms using support vector machines and radial basis function neural networks
-
Yao XJ, Panaye A, Doucet JP, Chen HF, Zhang RS, Fan BT, Liu MC, Hu ZD. Comparative classification study of toxicity mechanisms using support vector machines and radial basis function neural networks. Anal Chim Acta 535; 2005:259-73.
-
(2005)
Anal Chim Acta
, vol.535
, pp. 259-273
-
-
Yao, X.J.1
Panaye, A.2
Doucet, J.P.3
Chen, H.F.4
Zhang, R.S.5
Fan, B.T.6
Liu, M.C.7
Hu, Z.D.8
-
72
-
-
0021529312
-
Artificial intelligence approach to structure-activity studies: Computer automated structure evaluation of biological activity of organic molecules
-
Klopman G. Artificial intelligence approach to structure-activity studies: Computer automated structure evaluation of biological activity of organic molecules. J Am Chem Soc 1984;106:7315-20.
-
(1984)
J Am Chem Soc
, vol.106
, pp. 7315-7320
-
-
Klopman, G.1
-
73
-
-
0032610376
-
Applications of the CASE/MULTICASE SAR method to environmental and public health situations
-
Rosenkranz HS, Cunningham AR, Zhang YP, Klopman G. Applications of the CASE/MULTICASE SAR method to environmental and public health situations. SAR QSAR Environ Res 1999;10:263-76.
-
(1999)
SAR QSAR Environ Res
, vol.10
, pp. 263-276
-
-
Rosenkranz, H.S.1
Cunningham, A.R.2
Zhang, Y.P.3
Klopman, G.4
-
74
-
-
0032609573
-
Development, characterization and application of predictive-toxicology models
-
Rosenkranz HS, Cunningham AR, Zhang YP, Claycamp HG, Macina OT, Sussman NB, Grant SG, Klopman G. Development, characterization and application of predictive-toxicology models. SAR QSAR Environ Res 1999;10:277-98.
-
(1999)
SAR QSAR Environ Res
, vol.10
, pp. 277-298
-
-
Rosenkranz, H.S.1
Cunningham, A.R.2
Zhang, Y.P.3
Claycamp, H.G.4
Macina, O.T.5
Sussman, N.B.6
Grant, S.G.7
Klopman, G.8
-
75
-
-
0032718443
-
Multiple computer-automated structure evaluation program study of aquatic toxicity: 1. Guppy
-
Klopman G, Saiakhov R, Rosenkranz HS, Hermens JLM. Multiple computer-automated structure evaluation program study of aquatic toxicity: 1. Guppy. Environ Toxicol Chem 1999;18:2497-505.
-
(1999)
Environ Toxicol Chem
, vol.18
, pp. 2497-2505
-
-
Klopman, G.1
Saiakhov, R.2
Rosenkranz, H.S.3
Hermens, J.L.M.4
-
76
-
-
0034012820
-
Multiple computer-automated structure evaluation study of aquatic toxicity. 2. Fathead minnow
-
Klopman G, Saiakhov R, Rosenkranz HS. Multiple computer-automated structure evaluation study of aquatic toxicity. 2. Fathead minnow. Environ Toxicol Chem 2000;19:441-7.
-
(2000)
Environ Toxicol Chem
, vol.19
, pp. 441-447
-
-
Klopman, G.1
Saiakhov, R.2
Rosenkranz, H.S.3
-
77
-
-
0037372628
-
Multiple computer-automated structure evaluation study of aquatic toxicity: III
-
Klopman G, Stuart SE. Multiple computer-automated structure evaluation study of aquatic toxicity: III. Vibrio fischeri. Environ Toxicol Chem 2003;22:466-72.
-
(2003)
Vibrio fischeri. Environ Toxicol Chem
, vol.22
, pp. 466-472
-
-
Klopman, G.1
Stuart, S.E.2
-
78
-
-
0031601429
-
The MultiCASE program: II. Baseline activity identification algorithm (BAIA)
-
Klopman G. The MultiCASE program: II. Baseline activity identification algorithm (BAIA). J Chem Inf Comput Sci 1998;38:78-81.
-
(1998)
J Chem Inf Comput Sci
, vol.38
, pp. 78-81
-
-
Klopman, G.1
-
79
-
-
0003631556
-
Neural computing: Theory and practice
-
New York: Van Nostrand Reinhold
-
Wasserman PD. Neural computing: Theory and practice. New York: Van Nostrand Reinhold, 1989.
-
(1989)
-
-
Wasserman, P.D.1
-
80
-
-
0004060234
-
Neural netwoek PC tools: A practical guide
-
San Diego: Academic Press
-
Eberhart RC, Dobbins RW. Neural netwoek PC tools: A practical guide. San Diego: Academic Press, 1990.
-
(1990)
-
-
Eberhart, R.C.1
Dobbins, R.W.2
-
81
-
-
0003410791
-
Self-organizing maps
-
Berlin: Springer-Verlag
-
Kohonen T. Self-organizing maps. Berlin: Springer-Verlag, 1995.
-
(1995)
-
-
Kohonen, T.1
-
82
-
-
0003411478
-
Adaptive pattern recognition and neural networks
-
Reading, MA: Addison-Wesley
-
Pao YH. Adaptive pattern recognition and neural networks. Reading, MA: Addison-Wesley, 1989.
-
(1989)
-
-
Pao, Y.H.1
-
83
-
-
0003462817
-
Introduction to neural and cognitive modeling
-
Hillsdale, NJ: Lawrence Erlbaum
-
Levine DS. Introduction to neural and cognitive modeling. Hillsdale, NJ: Lawrence Erlbaum, 1991.
-
(1991)
-
-
Levine, D.S.1
-
84
-
-
0002319693
-
A noncongeneric model for predicting toxicity of organic molecules to Vibrio fischeri
-
Devillers J, Domine D. A noncongeneric model for predicting toxicity of organic molecules to Vibrio fischeri. SAR QSAR Environ Res 1999;10:61-70.
-
(1999)
SAR QSAR Environ Res
, vol.10
, pp. 61-70
-
-
Devillers, J.1
Domine, D.2
-
85
-
-
0033834585
-
Modeling the toxicity of chemicals to Tetrahymena pyriformis using molecular fragment descriptors and probabilistic neural networks
-
Niculescu SP, Kaiser KLE Schultz TW. Modeling the toxicity of chemicals to Tetrahymena pyriformis using molecular fragment descriptors and probabilistic neural networks. Arch Environ Contam Toxicol 2000;39:289-98.
-
(2000)
Arch Environ Contam Toxicol
, vol.39
, pp. 289-298
-
-
Niculescu, S.P.1
Kaiser, K.L.E.2
Schultz, T.W.3
-
86
-
-
0036490417
-
Probabilistic neural network modeling for the toxicity of chemicals to Tetrahymena pyriformis with molecular fragment descriptors
-
Kaiser KLE, Niculescu SP, Schultz TW. Probabilistic neural network modeling for the toxicity of chemicals to Tetrahymena pyriformis with molecular fragment descriptors. SAR QSAR Environ Res 2002;13:57-67.
-
(2002)
SAR QSAR Environ Res
, vol.13
, pp. 57-67
-
-
Kaiser, K.L.E.1
Niculescu, S.P.2
Schultz, T.W.3
-
87
-
-
0035145572
-
Modeling acute toxicity of chemicals to Daphnia magna: A probabilistic neural network approach
-
Kaiser, KLE, Niculescu SP. Modeling acute toxicity of chemicals to Daphnia magna: A probabilistic neural network approach. Environ Toxicol Chem 2001;20:420-31.
-
(2001)
Environ Toxicol Chem
, vol.20
, pp. 420-431
-
-
Kaiser, K.L.E.1
Niculescu, S.P.2
-
88
-
-
0033151484
-
Using probabilistic neural networks to model the toxicity of chemicals to the fathead minnow (Pimephales promelas): A study based on 865 compounds
-
Kaiser KLE, Niculescu SP. Using probabilistic neural networks to model the toxicity of chemicals to the fathead minnow (Pimephales promelas): A study based on 865 compounds. Chemosphere 1999;38:3237-45.
-
(1999)
Chemosphere
, vol.38
, pp. 3237-3245
-
-
Kaiser, K.L.E.1
Niculescu, S.P.2
-
89
-
-
3242697755
-
Using fragment chemistry data mining and probabilistic neural networks in screening chemicals for acute toxicity to the fathead minnow
-
Niculescu SP, Atkinson A, Hammond G, Lewis M. Using fragment chemistry data mining and probabilistic neural networks in screening chemicals for acute toxicity to the fathead minnow. SAR QSAR Environ Res 2004;15:293-309.
-
(2004)
SAR QSAR Environ Res
, vol.15
, pp. 293-309
-
-
Niculescu, S.P.1
Atkinson, A.2
Hammond, G.3
Lewis, M.4
-
91
-
-
33745808006
-
Validation of counter propagation neural network models for predictive toxicology according to the OECD principles: A case study
-
Vracko M, Bandelj V, Barbieri P, Benfenati E, Chaudry Q, Cronin M, Devillers J, Gallegos A, Gini G, Gramatica P, Helma C, Mazzatorta P, Neagu D, Netzeva T, Pavan M, Patlewicz G, Randic M, Tsakovska I, Worth A. Validation of counter propagation neural network models for predictive toxicology according to the OECD principles: A case study. SAR QSAR Environ Res 2006;17:265-84.
-
(2006)
SAR QSAR Environ Res
, vol.17
, pp. 265-284
-
-
Vracko, M.1
Bandelj, V.2
Barbieri, P.3
Benfenati, E.4
Chaudry, Q.5
Cronin, M.6
Devillers, J.7
Gallegos, A.8
Gini, G.9
Gramatica, P.10
Helma, C.11
Mazzatorta, P.12
Neagu, D.13
Netzeva, T.14
Pavan, M.15
Patlewicz, G.16
Randic, M.17
Tsakovska, I.18
Worth, A.19
-
92
-
-
0033643880
-
A general QSAR model for predicting the acute toxicity of pesticides to Oncorhynchus mykiss
-
Devillers J, Flatin J. A general QSAR model for predicting the acute toxicity of pesticides to Oncorhynchus mykiss. SAR QSAR Environ Res 2000;11:25-43.
-
(2000)
SAR QSAR Environ Res
, vol.11
, pp. 25-43
-
-
Devillers, J.1
Flatin, J.2
-
93
-
-
0035261601
-
A general QSAR model for predicting the acute toxicity of pesticides to Lepomis macrochirus
-
Devillers J. A general QSAR model for predicting the acute toxicity of pesticides to Lepomis macrochirus. SAR QSAR Environ Res 2001;11:397-417.
-
(2001)
SAR QSAR Environ Res
, vol.11
, pp. 397-417
-
-
Devillers, J.1
-
94
-
-
0034002401
-
Prediction of toxicity of organophosphorus insecticides against the midge, Chironomus riparius, via a QSAR neural network model integrating environmental variables
-
Devillers J. Prediction of toxicity of organophosphorus insecticides against the midge, Chironomus riparius, via a QSAR neural network model integrating environmental variables. Toxicol Meth 2000;10:69-79.
-
(2000)
Toxicol Meth
, vol.10
, pp. 69-79
-
-
Devillers, J.1
-
96
-
-
30944432548
-
A new strategy for using supervised artificial neural networks in QSAR
-
Devillers J. A new strategy for using supervised artificial neural networks in QSAR. SAR QSAR Environ Res 2005;16:433-42.
-
(2005)
SAR QSAR Environ Res
, vol.16
, pp. 433-442
-
-
Devillers, J.1
-
97
-
-
0000381846
-
Strengths and weaknesses of the backpropagation neural network in QSAR and QSPR studies
-
In: Devillers J, editor,, London: Academic Press
-
Devillers J. Strengths and weaknesses of the backpropagation neural network in QSAR and QSPR studies. In: Devillers J, editor, Neural networks in QSAR and drug design. London: Academic Press, 1996. p. 1-46.
-
(1996)
Neural networks in QSAR and drug design
, pp. 1-46
-
-
Devillers, J.1
-
98
-
-
0037424597
-
The use of neural networks in QSARs for acute aquatic toxicological endpoints
-
Kaiser KLE. The use of neural networks in QSARs for acute aquatic toxicological endpoints. J Mol Struct (Theochem) 2003;622:85-95.
-
(2003)
J Mol Struct (Theochem)
, vol.622
, pp. 85-95
-
-
Kaiser, K.L.E.1
-
99
-
-
0038069350
-
Neural networks for effect prediction in environmental and health issues using large datasets
-
Kaiser KLE. Neural networks for effect prediction in environmental and health issues using large datasets. QSAR Comb Sci 2003;22:185-90.
-
(2003)
QSAR Comb Sci
, vol.22
, pp. 185-190
-
-
Kaiser, K.L.E.1
-
100
-
-
84864947397
-
Artificial neural network modeling in environmental toxicology
-
In: Livingstone DJ, editor,, Totowa: Humana Press
-
Devillers J. Artificial neural network modeling in environmental toxicology. In: Livingstone DJ, editor, Neural networks: Methods and applications. Totowa: Humana Press, 2007.
-
(2007)
Neural networks: Methods and applications
-
-
Devillers, J.1
-
101
-
-
0003798635
-
An introduction to support vector machines and other kernel-based learning methods
-
Cambridge: Cambridge University Press
-
Cristianini N, Shawe-Taylor J. An introduction to support vector machines and other kernel-based learning methods. Cambridge: Cambridge University Press, 2000.
-
(2000)
-
-
Cristianini, N.1
Shawe-Taylor, J.2
-
102
-
-
33644766846
-
Quantitative structure-toxicity relationships (QSTRs): A comparative study of various non linear methods: General regression neural network, radial basis function neural network and support vector machine in predicting toxicity of nitro-and cyano-aromatics to Tetrahymena pyriformis
-
Panaye A, Fan BT, Doucet JP, Yao XJ, Zhang RS, Liu MC, Hu ZD. Quantitative structure-toxicity relationships (QSTRs): A comparative study of various non linear methods: General regression neural network, radial basis function neural network and support vector machine in predicting toxicity of nitro-and cyano-aromatics to Tetrahymena pyriformis. SAR QSAR Environ Res 2006;17:75-91.
-
(2006)
SAR QSAR Environ Res
, vol.17
, pp. 75-91
-
-
Panaye, A.1
Fan, B.T.2
Doucet, J.P.3
Yao, X.J.4
Zhang, R.S.5
Liu, M.C.6
Hu, Z.D.7
-
103
-
-
0026327302
-
The use of data estimation methods by regulatory authorities
-
In: Hermens JLM, Opperhuizen A, editors,, Amsterdam: Elsevier
-
Hart JW. The use of data estimation methods by regulatory authorities. In: Hermens JLM, Opperhuizen A, editors, QSAR in environmental toxicology-IV. Amsterdam: Elsevier, 1991. p. 629-33.
-
(1991)
QSAR in environmental toxicology-IV
, pp. 629-633
-
-
Hart, J.W.1
-
104
-
-
0037923585
-
Quantitative cationic-activity relationships for predicting toxicity of metals
-
Walker JD, Enache M, Dearden JC. Quantitative cationic-activity relationships for predicting toxicity of metals. Environ Toxicol Chem 2003;22:1916-35.
-
(2003)
Environ Toxicol Chem
, vol.22
, pp. 1916-1935
-
-
Walker, J.D.1
Enache, M.2
Dearden, J.C.3
-
105
-
-
0003930770
-
Toxicology of chemical mixtures: Case studies, mechanisms, and novel approaches
-
San Diego: Academic Press
-
Yang RSH. Toxicology of chemical mixtures: Case studies, mechanisms, and novel approaches. San Diego: Academic Press, 1994.
-
(1994)
-
-
Yang, R.S.H.1
-
106
-
-
0021428756
-
Quantitative structure-activity relationships and toxicity studies of mixtures of chemicals with anaesthetic potency: Acute lethal and sublethal toxicity to Daphnia magna
-
Hermens J, Canton H, Janssen P, de Jong R. Quantitative structure-activity relationships and toxicity studies of mixtures of chemicals with anaesthetic potency: Acute lethal and sublethal toxicity to Daphnia magna. Aquat Toxicol 1984;5:143-54.
-
(1984)
Aquat Toxicol
, vol.5
, pp. 143-154
-
-
Hermens, J.1
Canton, H.2
Janssen, P.3
De Jong, R.4
-
107
-
-
0032146674
-
Use of QSAR models in predicting joint effects in multi-component mixtures of organic chemicals
-
Xu S, Nirmalakhandan N. Use of QSAR models in predicting joint effects in multi-component mixtures of organic chemicals. Water Res 1998;32:2391-8.
-
(1998)
Water Res
, vol.32
, pp. 2391-2398
-
-
Xu, S.1
Nirmalakhandan, N.2
-
109
-
-
0036491666
-
Prediction of acute toxicity of chemicals in mixtures: Worms Tubifex tubifex and gas/liquid distribution
-
Tichy M, Borek-Dohalsky V, Matousova D, Rucki M, Feltl L, Roth Z. Prediction of acute toxicity of chemicals in mixtures: Worms Tubifex tubifex and gas/liquid distribution. SAR QSAR Environ Res 2002;13:261-9.
-
(2002)
SAR QSAR Environ Res
, vol.13
, pp. 261-269
-
-
Tichy, M.1
Borek-Dohalsky, V.2
Matousova, D.3
Rucki, M.4
Feltl, L.5
Roth, Z.6
-
110
-
-
0142088796
-
Mixture toxicity and its modeling by quantitative structure-activity relationships
-
Altenburger R, Nendza M, Schüürmann G. Mixture toxicity and its modeling by quantitative structure-activity relationships. Environ Toxicol Chem 2003;22:1900-15.
-
(2003)
Environ Toxicol Chem
, vol.22
, pp. 1900-1915
-
-
Altenburger, R.1
Nendza, M.2
Schüürmann, G.3
-
111
-
-
0012932403
-
Comparison of fish bioconcentration models
-
In: Devillers J, editor,, Philadelphia; Taylor and Francis
-
Devillers J, Domine D, Bintein S, Karcher W. Comparison of fish bioconcentration models. In: Devillers J, editor, Comparative QSAR. Philadelphia; Taylor and Francis, 1998. p. 1-50.
-
(1998)
Comparative QSAR
, pp. 1-50
-
-
Devillers, J.1
Domine, D.2
Bintein, S.3
Karcher, W.4
-
112
-
-
8344268393
-
QSAR modeling of bioaccumulation
-
In: Cronin MTD, Livingstone DJ, editors,, Boca Raton, FL: CRC Press
-
Dearden JC. QSAR modeling of bioaccumulation. In: Cronin MTD, Livingstone DJ, editors, Predicting chemical toxicity and fate. Boca Raton, FL: CRC Press, 2004. p. 333-55.
-
(2004)
Predicting chemical toxicity and fate
, pp. 333-355
-
-
Dearden, J.C.1
-
113
-
-
31544476573
-
Base-line model for identifying the bioaccumulation potential of chemicals
-
Dimitrov S, Dimitrova N, Parkerton T, Comber M, Bonnell M, Mekenyan O. Base-line model for identifying the bioaccumulation potential of chemicals. SAR QSAR Environ Res 2005;16:531-54.
-
(2005)
SAR QSAR Environ Res
, vol.16
, pp. 531-554
-
-
Dimitrov, S.1
Dimitrova, N.2
Parkerton, T.3
Comber, M.4
Bonnell, M.5
Mekenyan, O.6
-
114
-
-
0036780044
-
Global government applications of analogues, SARs and QSARs to predict aquatic toxicity, chemical or physical properties, environmental fate parameters and health effects of organic chemicals
-
Walker JD, Carlsen L, Hulzebos E, Simon-Hettich B. Global government applications of analogues, SARs and QSARs to predict aquatic toxicity, chemical or physical properties, environmental fate parameters and health effects of organic chemicals. SAR QSAR Environ Res 2002;13:607-16.
-
(2002)
SAR QSAR Environ Res
, vol.13
, pp. 607-616
-
-
Walker, J.D.1
Carlsen, L.2
Hulzebos, E.3
Simon-Hettich, B.4
-
115
-
-
8344223858
-
The prospects for using (Q)SARs in a changing political environment: High expectations and a key role for the European Commission's joint research centre
-
Worth AP, van Leeuwen CJ, Hartung T. The prospects for using (Q)SARs in a changing political environment: High expectations and a key role for the European Commission's joint research centre. SAR QSAR Environ Res 2004;15:331-43.
-
(2004)
SAR QSAR Environ Res
, vol.15
, pp. 331-343
-
-
Worth, A.P.1
Van Leeuwen, C.J.2
Hartung, T.3
-
116
-
-
8344287063
-
Regulatory use of (Q)SARs in toxicological hazard assessment strategies
-
Gerner I, Spielmann H, Hoefer T, Liebsch M, Herzler M. Regulatory use of (Q)SARs in toxicological hazard assessment strategies. SAR QSAR Environ Res 2004;15:359-66.
-
(2004)
SAR QSAR Environ Res
, vol.15
, pp. 359-366
-
-
Gerner, I.1
Spielmann, H.2
Hoefer, T.3
Liebsch, M.4
Herzler, M.5
-
117
-
-
38849144561
-
The use by governmental regulatory agencies of quantitative struc-ture-activity relationships and expert systems to predict toxicity
-
In: Cronin MTD, Livingstone DJ, editors,, Boca Raton, FL: CRC Press
-
Cronin MTD. The use by governmental regulatory agencies of quantitative struc-ture-activity relationships and expert systems to predict toxicity. In: Cronin MTD, Livingstone DJ, editors, Predicting chemical toxicity and fate. Boca Raton, FL: CRC Press, 2004. p. 413-27.
-
(2004)
Predicting chemical toxicity and fate
, pp. 413-427
-
-
Cronin, M.T.D.1
-
118
-
-
0142057971
-
An overview of the use of quantitative structure-activity relationships for ranking and prioritizing large chemical inventories for environmental risk assessments
-
Russom CL, Breton RL, Walker JD, Bradbury SP. An overview of the use of quantitative structure-activity relationships for ranking and prioritizing large chemical inventories for environmental risk assessments. Environ Toxicol Chem 2003;22:1810-21.
-
(2003)
Environ Toxicol Chem
, vol.22
, pp. 1810-1821
-
-
Russom, C.L.1
Breton, R.L.2
Walker, J.D.3
Bradbury, S.P.4
-
120
-
-
0142057084
-
A comparison of model performance for six quantitative structure-activity relationship packages that predict acute toxicity to fish
-
Moore DRJ, Breton RL, MacDonald DB. A comparison of model performance for six quantitative structure-activity relationship packages that predict acute toxicity to fish. Environ Toxicol Chem 2003;22:1799-809.
-
(2003)
Environ Toxicol Chem
, vol.22
, pp. 1799-1809
-
-
Moore, D.R.J.1
Breton, R.L.2
MacDonald, D.B.3
-
121
-
-
33745807446
-
The principles for establishing the status of development and validation of (quantitative) structure-activity relationships (QSARs)
-
OECD, Paris: OECD
-
OECD. The principles for establishing the status of development and validation of (quantitative) structure-activity relationships (QSARs). Paris: OECD, 2004.
-
(2004)
-
-
-
122
-
-
8344262467
-
Evaluation of QSARs for ecotoxicity: A method for assigning quality and confidence
-
Schultz TW, Netzeva TI, Cronin MTD. Evaluation of QSARs for ecotoxicity: A method for assigning quality and confidence. SAR QSAR Environ Res 2004;15:385-97.
-
(2004)
SAR QSAR Environ Res
, vol.15
, pp. 385-397
-
-
Schultz, T.W.1
Netzeva, T.I.2
Cronin, M.T.D.3
-
123
-
-
33847060108
-
The quality of QSAR models: Problems and solutions
-
Kolossov E, Stanforth R. The quality of QSAR models: Problems and solutions. SAR QSAR Environ Res 2007;18:89-100.
-
(2007)
SAR QSAR Environ Res
, vol.18
, pp. 89-100
-
-
Kolossov, E.1
Stanforth, R.2
-
124
-
-
1542680952
-
Pollution prevention, green chemistry, and the design of safer chemicals
-
In: DeVito SC, Garrett RL, editors,, ACS Symposium Series 640. Washington: American Chemical Society
-
Garrett RL. Pollution prevention, green chemistry, and the design of safer chemicals. In: DeVito SC, Garrett RL, editors, Designing safer chemicals: Green chemistry for pollution prevention. ACS Symposium Series 640. Washington: American Chemical Society, 1996. p. 2-15.
-
(1996)
Designing safer chemicals: Green chemistry for pollution prevention
, pp. 2-15
-
-
Garrett, R.L.1
-
125
-
-
0002962720
-
Computer-aided molecular design using neural networks and genetic algorithms
-
In: Devillers J, editor,, London: Academic Press
-
Venkatasubramanian V, Sundaram A, Chan K, Caruthers JM. Computer-aided molecular design using neural networks and genetic algorithms. In: Devillers J, editor, Genetic algorithms in molecular modeling. London: Academic Press, 1996. p. 271-302.
-
(1996)
Genetic algorithms in molecular modeling
, pp. 271-302
-
-
Venkatasubramanian, V.1
Sundaram, A.2
Chan, K.3
Caruthers, J.M.4
-
126
-
-
0000901406
-
Molecular connectivity Chi indices for database analysis and structure-property modeling
-
In: Devillers J, Balaban AT, editors,, Reading: Gordon and Breach
-
Hall LH, Kier LB. Molecular connectivity Chi indices for database analysis and structure-property modeling. In: Devillers J, Balaban AT, editors, Topological indices and related descriptors in QSAR and QSPR. Reading: Gordon and Breach, 1999. p. 307-60.
-
(1999)
Topological indices and related descriptors in QSAR and QSPR
, pp. 307-360
-
-
Hall, L.H.1
Kier, L.B.2
-
127
-
-
0035257827
-
The use of Hasse diagrams as a potential approach for inverse QSAR
-
Brüggemann R, Pudenz S, Carlsen L, Sørensen PB, Thomsen M, Mishra RK. The use of Hasse diagrams as a potential approach for inverse QSAR. SAR QSAR Environ Res 2001;11:473-87.
-
(2001)
SAR QSAR Environ Res
, vol.11
, pp. 473-487
-
-
Brüggemann, R.1
Pudenz, S.2
Carlsen, L.3
Sørensen, P.B.4
Thomsen, M.5
Mishra, R.K.6
-
128
-
-
28544440044
-
The signature molecular descriptor: 5. The design of hydrofluoroether foam blowing agents using inverse-QSAR
-
Weis DC, Foulon JL, LeBorne RC, Visco DP. The signature molecular descriptor: 5. The design of hydrofluoroether foam blowing agents using inverse-QSAR. Ind Eng Chem Res 2005;44:8883-91.
-
(2005)
Ind Eng Chem Res
, vol.44
, pp. 8883-8891
-
-
Weis, D.C.1
Foulon, J.L.2
LeBorne, R.C.3
Visco, D.P.4
-
129
-
-
0037315310
-
A decade of research in environmental QSAR
-
Devillers J. A decade of research in environmental QSAR. SAR QSAR Environ Res 2003;14:1-6.
-
(2003)
SAR QSAR Environ Res
, vol.14
, pp. 1-6
-
-
Devillers, J.1
-
130
-
-
33847019666
-
Evolution of the international workshops on quantitative structure-activity relationships (QSARs) in environmental toxicology
-
Kaiser KLE. Evolution of the international workshops on quantitative structure-activity relationships (QSARs) in environmental toxicology. SAR QSAR Environ Res 2007;18:3-20.
-
(2007)
SAR QSAR Environ Res
, vol.18
, pp. 3-20
-
-
Kaiser, K.L.E.1
|