-
1
-
-
50649118591
-
Hail Caesar
-
N. Price, Hail Caesar, Chem. Ind. 15 (2008), pp. 18-19. Available at http://www.caesar-project.eu/index.php?page1/4results§ion1/4results2
-
(2008)
Chem. Ind
, vol.15
, pp. 18-19
-
-
Price, N.1
-
2
-
-
0037480748
-
Putting the predictive toxicology challenge into perspective: Reflections on the results
-
R. Benigni and A. Giuliani, Putting the predictive toxicology challenge into perspective: reflections on the results, Bioinformatics 19 (2003), pp. 1194-1200.
-
(2003)
Bioinformatics
, vol.19
, pp. 1194-1200
-
-
Benigni, R.1
Giuliani, A.2
-
3
-
-
0036491315
-
AI and SAR approaches for predicting chemical carcinogenicity: Survey and status report
-
A.M. Richard and R. Benigni, AI and SAR approaches for predicting chemical carcinogenicity: survey and status report, SAR QSAR Environ. Res. 13 (2002), pp. 1-19.
-
(2002)
SAR QSAR Environ. Res
, vol.13
, pp. 1-19
-
-
Richard, A.M.1
Benigni, R.2
-
4
-
-
0142088806
-
Quantitative structure-activity relationships for predicting mutagenicity and carcinogenicity
-
G. Patlewicz, R. Rodford, and J.D. Walker, Quantitative structure-activity relationships for predicting mutagenicity and carcinogenicity, Environ. Toxicol. Chem. 22 (2003), pp. 1885-1893.
-
(2003)
Environ. Toxicol. Chem
, vol.22
, pp. 1885-1893
-
-
Patlewicz, G.1
Rodford, R.2
Walker, J.D.3
-
5
-
-
32044469800
-
The prediction of carcinogenicity from molecular structure
-
A.M. Helguera, M.C.A. Perez, R.D. Combes, and M.P. Gonzalez, The prediction of carcinogenicity from molecular structure, Curr. Comput-Aided Drug Des. 1 (2005), pp. 237-255.
-
(2005)
Curr. Comput-Aided Drug Des
, vol.1
, pp. 237-255
-
-
Helguera, A.M.1
Perez, M.C.A.2
Combes, R.D.3
Gonzalez, M.P.4
-
6
-
-
14844294440
-
A topological substructural approach applied to the computational prediction of rodent carcinogenicity
-
A. Morales Helguera, M.A. Cabrera Perez, M. Perez Gonzalez, R. Molina Ruiz, and H. Gonzalez-Diaz, A topological substructural approach applied to the computational prediction of rodent carcinogenicity, Bioorg Med. Chem. 13 (2005), pp. 2477-2488.
-
(2005)
Bioorg Med. Chem
, vol.13
, pp. 2477-2488
-
-
Morales Helguera, A.1
Cabrera Perez, M.A.2
Perez Gonzalez, M.3
Molina Ruiz, R.4
Gonzalez-Diaz, H.5
-
7
-
-
77955071213
-
QSARs for individual classis of chemical mutagens and carcinogens
-
R. Benigni, ed., CRC Press, Boca Raton, FL
-
L. Passerini, QSARs for individual classis of chemical mutagens and carcinogens, in Quantitative Structure-Activity Relationship (QSARs). Models of mutagens and carcinogens, R. Benigni, ed., CRC Press, Boca Raton, FL, 2003, pp. 81-123.
-
(2003)
Quantitative Structure-Activity Relationship (QSARs). Models of Mutagens and Carcinogens
, pp. 81-123
-
-
Passerini, L.1
-
8
-
-
85041396132
-
QSARs for the mutagenicity and carcinogenicity of Aromatic Amines
-
R. Benigni, ed., CRC Press, Boca Raton, FL
-
R. Benigni, A. Giuliani, A. Gruska, and R. Franke, QSARs for the mutagenicity and carcinogenicity of Aromatic Amines, in Quantitative Structure-Activity Relationship (QSARs). Models of mutagens and carcinogens, R. Benigni, ed., CRC Press, Boca Raton, FL, 2003, pp. 125-144.
-
(2003)
Quantitative Structure-Activity Relationship (QSARs). Models of Mutagens and Carcinogens
, pp. 125-144
-
-
Benigni, R.1
Giuliani, A.2
Gruska, A.3
Franke, R.4
-
9
-
-
0033217369
-
Predictive carcinogenicity: A model for aromatic compounds, with nitrogen-containing substituents, based on molecular descriptors using an artificial neural network
-
G. Gini, M. Lorenzini, E. Benfenati, P. Grasso, and M. Bruschi, Predictive carcinogenicity: a model for aromatic compounds, with nitrogen-containing substituents, based on molecular descriptors using an artificial neural network, J. Chem. Inf. Comput. Sci. 39 (1999), pp. 1076-1080.
-
(1999)
J. Chem. Inf. Comput. Sci
, vol.39
, pp. 1076-1080
-
-
Gini, G.1
Lorenzini, M.2
Benfenati, E.3
Grasso, P.4
Bruschi, M.5
-
10
-
-
1842639169
-
ESP: A method to predict toxicity and pharmacological properties of chemicals using multiple MCASE databases
-
G. Klopman, S.K. Chakravarti, H. Zhu, J.M. Ivanov, and R.D. Saiakhov, ESP: A method to predict toxicity and pharmacological properties of chemicals using multiple MCASE databases, J. Chem. Inf. Comput. Sci. 44 (2004), pp. 704-715.
-
(2004)
J. Chem. Inf. Comput. Sci
, vol.44
, pp. 704-715
-
-
Klopman, G.1
Chakravarti, S.K.2
Zhu, H.3
Ivanov, J.M.4
Saiakhov, R.D.5
-
11
-
-
84904043359
-
MC4PC - An artificial intelligence approach to the discovery of quantitative structure-toxic activity relationship
-
Helma, ed., CRC Press, Boca Raton, FL
-
G. Klopman, J. Ivanov, R. Saiakhov, and S. Chakravarti, MC4PC - An artificial intelligence approach to the discovery of quantitative structure-toxic activity relationship, in Predictive Toxicology, C. Helma, ed., CRC Press, Boca Raton, FL, 2005, pp. 423-457.
-
(2005)
Predictive Toxicology, C
, pp. 423-457
-
-
Klopman, G.1
Ivanov, J.2
Saiakhov, R.3
Chakravarti, S.4
-
12
-
-
0032458218
-
A new highly specific method for predicting the carcinogenic potential of pharmaceuticals in rodents using enhanced MCASEQSAR-ES software
-
E.J. Matthews and J.F. Contrera, A new highly specific method for predicting the carcinogenic potential of pharmaceuticals in rodents using enhanced MCASEQSAR-ES software, Regul. Toxicol. Pharmacol. 28 (1998), pp. 242-264.
-
(1998)
Regul. Toxicol. Pharmacol
, vol.28
, pp. 242-264
-
-
Matthews, E.J.1
Contrera, J.F.2
-
13
-
-
84987846067
-
OncoLogic: A mechanism-based expert system for predicting the carcinogenic potential of chemicals
-
C. Helma, ed., CRC Press, Boca Raton, FL
-
Y.T. Woo and D.Y. Lai, OncoLogic: A mechanism-based expert system for predicting the carcinogenic potential of chemicals, in Predictive Toxicology, C. Helma, ed., CRC Press, Boca Raton, FL, 2005, pp. 385-413.
-
(2005)
Predictive Toxicology
, pp. 385-413
-
-
Woo, Y.T.1
Lai, D.Y.2
-
14
-
-
28644449257
-
Computer-aided rodent carcinogenicity prediction
-
A.A. Lagunin, J.C. Dearden, D.A. Filimonov, and V.V. Poroikov, Computer-aided rodent carcinogenicity prediction, Mutat. Res. 586 (2005), pp. 138-146.
-
(2005)
Mutat. Res
, vol.586
, pp. 138-146
-
-
Lagunin, A.A.1
Dearden, J.C.2
Filimonov, D.A.3
Poroikov, V.V.4
-
15
-
-
0030941637
-
Computational predictive programs (expert systems) in toxicology
-
E. Benfenati and G. Gini, Computational predictive programs (expert systems) in toxicology, Toxicology 119 (1997), pp. 213-225.
-
(1997)
Toxicology
, vol.119
, pp. 213-225
-
-
Benfenati, E.1
Gini, G.2
-
16
-
-
0031698019
-
Quantitative structure-based modeling applied to characterization and prediction of chemical toxicity
-
R. Benigni and A.M. Richard, Quantitative structure-based modeling applied to characterization and prediction of chemical toxicity, Methods 14 (1998), pp. 264-276.
-
(1998)
Methods
, vol.14
, pp. 264-276
-
-
Benigni, R.1
Richard, A.M.2
-
17
-
-
0032565550
-
Structure-based methods for predicting mutagenicity and carcinogenicity: Are we there yet?
-
A.M. Richard, Structure-based methods for predicting mutagenicity and carcinogenicity: are we there yet?, Mutat. Res. 400 (1998), pp. 493-507.
-
(1998)
Mutat. Res
, vol.400
, pp. 493-507
-
-
Richard, A.M.1
-
18
-
-
0242624535
-
Prediction the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices
-
J.F. Contrera, E.J. Matthews, and R.D. Benz, Prediction the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices, Regul. Toxicol. Pharmacol. 38 (2003), pp. 243-259.
-
(2003)
Regul. Toxicol. Pharmacol
, vol.38
, pp. 243-259
-
-
Contrera, J.F.1
Matthews, E.J.2
Benz, R.D.3
-
19
-
-
0022272085
-
Computer-assisted mechanistic structure-activity studies: Application to diverse classes of chemical carcinogens
-
G.H. Loew, M. Poulsen, E. Kirkjian, J. Ferrell, B.S. Sudhindra, and M. Rebagliati, Computer-assisted mechanistic structure-activity studies: application to diverse classes of chemical carcinogens, Environ. Health. Perspect. 61 (1985), pp. 69-96.
-
(1985)
Environ. Health. Perspect
, vol.61
, pp. 69-96
-
-
Loew, G.H.1
Poulsen, M.2
Kirkjian, E.3
Ferrell, J.4
Sudhindra, B.S.5
Rebagliati, M.6
-
20
-
-
66149126079
-
Predictive models for carcinogenicity: Frameworks, state-of-the-art, and perspectives
-
E. Benfenati, R. Benigni, D.M. DeMarini, C. Helma, D. Kirkland, T.M. Martin, P. Mazzatorta, G. Ouedraogo-Arras, A.M. Richard, B. Schilter, W.G.E. Schoonen, R.D. Snyder, and C. Yang, Predictive models for carcinogenicity: frameworks, state-of-the-art, and perspectives, J. Environ. Sci. Health C 27 (2009), pp. 57-90.
-
(2009)
J. Environ. Sci. Health C
, vol.27
, pp. 57-90
-
-
Benfenati, E.1
Benigni, R.2
Demarini, D.M.3
Helma, C.4
Kirkland, D.5
Martin, T.M.6
Mazzatorta, P.7
Ouedraogo-Arras, G.8
Richard, A.M.9
Schilter, B.10
Schoonen, W.G.E.11
Snyder, R.D.12
Yang, C.13
-
22
-
-
40249101197
-
-
European Commission Directorate General Joint Research Centre 2007, EUR 22772EN, European Communities, 2007
-
R. Benigni, C. Bossa, T. Netzeva, and A. Worth, Collection and Evaluation of (Q)SAR Models for Mutagenicity and Carcinogenicity, European Commission Directorate General Joint Research Centre 2007, EUR 22772EN, European Communities, 2007, pp. 1-118.
-
Collection and Evaluation of (Q)SAR Models For Mutagenicity and Carcinogenicity
, pp. 1-118
-
-
Benigni, R.1
Bossa, C.2
Netzeva, T.3
Worth, A.4
-
23
-
-
0028548272
-
Predicting carcinogenicity of polycyclic aromatic hydrocarbons from back-propagation neural network
-
D. Villemin, D. Cherqaoui, and A. Mesbah, Predicting carcinogenicity of polycyclic aromatic hydrocarbons from back-propagation neural network, J. Chem. Inf. Comput. Sci. 34 (1994), pp. 1288-1293.
-
(1994)
J. Chem. Inf. Comput. Sci
, vol.34
, pp. 1288-1293
-
-
Villemin, D.1
Cherqaoui, D.2
Mesbah, A.3
-
24
-
-
0030569257
-
QSARS of mutagens and carcinogens: Two case studies illustrating problems in the construction of models for non-congeneric chemicals
-
R. Benigni and A.M. Richard, QSARS of mutagens and carcinogens: two case studies illustrating problems in the construction of models for non-congeneric chemicals, Mutat. Res. 371 (1996), pp. 29-46.
-
(1996)
Mutat. Res
, vol.371
, pp. 29-46
-
-
Benigni, R.1
Richard, A.M.2
-
25
-
-
0031268730
-
A Study of structure-carcinogenic potency relationship with artificial neural networks. The using of descriptors related to geometrical and electronic structures
-
M. Vračko, A Study of structure-carcinogenic potency relationship with artificial neural networks. The using of descriptors related to geometrical and electronic structures, J. Chem. Inf. Comput. Sci. 37 (1997), pp. 1037-1043.
-
(1997)
J. Chem. Inf. Comput. Sci
, vol.37
, pp. 1037-1043
-
-
Vračko, M.1
-
27
-
-
33748242731
-
Neural networks in chemistry
-
J. Gasteiger and J. Zupan, Neural networks in chemistry, Angew. Chem. Int. Ed. 32 (1993), pp. 503-527.
-
(1993)
Angew. Chem. Int. Ed
, vol.32
, pp. 503-527
-
-
Gasteiger, J.1
Zupan, J.2
-
28
-
-
0042755340
-
QSAR and neural networks in life sciences
-
D.A. Winkler and D.J. Madellena, QSAR and neural networks in life sciences, Ser. Math. Biol. Med. 5 (1995), pp. 126-163.
-
(1995)
Ser. Math. Biol. Med
, vol.5
, pp. 126-163
-
-
Winkler, D.A.1
Madellena, D.J.2
-
30
-
-
0031735526
-
Artificial neural networks for computer-based molecular design
-
G. Schneider and P. Wrede, Artificial neural networks for computer-based molecular design, Prog. Biophys. Mol. Biol. 70 (1998), pp. 175-222.
-
(1998)
Prog. Biophys. Mol. Biol
, vol.70
, pp. 175-222
-
-
Schneider, G.1
Wrede, P.2
-
32
-
-
0033970811
-
Neural networks are useful tools for drug design
-
G. Schneider, Neural networks are useful tools for drug design, Neural Networks 13 (2000), pp. 15-16.
-
(2000)
Neural Networks
, vol.13
, pp. 15-16
-
-
Schneider, G.1
-
33
-
-
0042884387
-
Hierarchy neural networks as applied to pharmaceutical problems
-
H. Ichikawa, Hierarchy neural networks as applied to pharmaceutical problems, Adv. Drug. Delivery. Rev. 55 (2003), pp. 1119-1147.
-
(2003)
Adv. Drug. Delivery. Rev
, vol.55
, pp. 1119-1147
-
-
Ichikawa, H.1
-
35
-
-
0031735526
-
Artificial neural networks for computer-based molecular design
-
G. Schneider and P. Wrede, Artificial neural networks for computer-based molecular design, Prog. Biophys. Mol. Biol. 70 (1998), pp. 175-222.
-
(1998)
Prog. Biophys. Mol. Biol
, vol.70
, pp. 175-222
-
-
Schneider, G.1
Wrede, P.2
-
36
-
-
0043235835
-
Prediction of physicochemical properties based on neural network modeling
-
J. Taskinen and J. Yliruusi, Prediction of physicochemical properties based on neural network modeling, Adv. Drug. Delivery Rev. 55 (2003), pp. 1163-1183.
-
(2003)
Adv. Drug. Delivery Rev
, vol.55
, pp. 1163-1183
-
-
Taskinen, J.1
Yliruusi, J.2
-
37
-
-
85195059324
-
-
CAESAR project web page, 2009
-
CAESAR project web page, 2009. Available at http://www.caesar-project.eu
-
-
-
-
38
-
-
85195092240
-
-
Distributed Structure-Searchable Toxicity (DSSTox)
-
Distributed Structure-Searchable Toxicity (DSSTox) Public Database Network. Available at http://www.epa.gov/ncct/dsstox/sdf_cpdbas.html
-
Public Database Network
-
-
-
39
-
-
85195051194
-
-
Lois Gold Carcinogenic Potency Database (CPDB)
-
Lois Gold Carcinogenic Potency Database (CPDB). Available at http://potency.berkeley.edu/ cpdb.html
-
-
-
-
40
-
-
57349180719
-
Integrated decision-tree testing strategies for mutagenicity and carcinogenicity with respect to the requirements of the EU REACH legislation
-
R. Combes, C. Grindon, M.T. Cronin, D.W. Roberts, and J.F. Garrod, Integrated decision-tree testing strategies for mutagenicity and carcinogenicity with respect to the requirements of the EU REACH legislation, ATLA 36 (2008), pp. 43-63.
-
(2008)
ATLA
, vol.36
, pp. 43-63
-
-
Combes, R.1
Grindon, C.2
Cronin, M.T.3
Roberts, D.W.4
Garrod, J.F.5
-
41
-
-
0002388493
-
A software system for automatic chemical property estimation from molecular structure
-
F. Chen and G. Schuurmann, eds., SETAC Press, Pensacola, FL
-
G. Schüürmann, R. Kühne, F. Kleint, R.U. Ebert, C. Rothenbacher, and P. Herth, A software system for automatic chemical property estimation from molecular structure, in Quantitative Structure-Activity Relationships in Environmental Sciences, Vol. VII, F. Chen and G. Schuurmann, eds., SETAC Press, Pensacola, FL, 1997, pp. 93-114.
-
(1997)
Quantitative Structure-Activity Relationships In Environmental Sciences
, vol.7
, pp. 93-114
-
-
Schüürmann, G.1
Kühne, R.2
Kleint, F.3
Ebert, R.U.4
Rothenbacher, C.5
Herth, P.6
-
42
-
-
57049085196
-
Prediction of fate-related compound properties
-
2nd ed., van K. Leeuwen and T. Vermeire, eds., Springer Science, Dordrecht, NL
-
G. Schüürmann, R.U. Ebert, M. Nendza, J.C. Dearden, A. Paschke, and R. Kühne, Prediction of fate-related compound properties, in Risk Assessment of Chemicals. An Introduction, 2nd ed., van K. Leeuwen and T. Vermeire, eds., Springer Science, Dordrecht, NL, 2007, pp. 375-426.
-
(2007)
Risk Assessment of Chemicals. An Introduction
, pp. 375-426
-
-
Schüürmann, G.1
Ebert, R.U.2
Nendza, M.3
Dearden, J.C.4
Paschke, A.5
Kühne, R.6
-
44
-
-
27344459398
-
Virtual computational chemistry laboratory - design and description
-
I. Tetko, J. Gasteiger, R. Todeschini, A. Mauri, D. Livingstone, P. Ertl, V. Palyulin, E. Radchenko, N. Zefirov, A. Makarenko, V. Tanchuk, and V. Prokopenko, Virtual computational chemistry laboratory - design and description, J. Comput-Aided Mol. Des. 19 (2005), pp. 453-463.
-
(2005)
J. Comput-Aided Mol. Des
, vol.19
, pp. 453-463
-
-
Tetko, I.1
Gasteiger, J.2
Todeschini, R.3
Mauri, A.4
Livingstone, D.5
Ertl, P.6
Palyulin, V.7
Radchenko, E.8
Zefirov, N.9
Makarenko, A.10
Tanchuk, V.11
Prokopenko, V.12
-
45
-
-
33745309231
-
-
CODESSA PRO User's Manual, 2005. Available at http://www.codessa-pro.com/manuals/ manual.html
-
(2005)
CODESSA PRO User's Manual
-
-
-
46
-
-
85195082294
-
-
MDL Information Systems Inc., 14600 Catalina St., San Leonardo, CA 94577, USA, software
-
MDL-QSAR version 2.2, MDL Information Systems Inc., 14600 Catalina St., San Leonardo, CA 94577, USA, 2002-2004; software available at http://www.drugdiscoveryonline.com/ storefronts/mdl.html
-
(2002)
MDL-QSAR Version 2.2
-
-
-
47
-
-
77951471024
-
-
DRAGON home page. Available at http://www.talete.mi.it/products/dragon_description.html
-
DRAGON Home Page
-
-
-
48
-
-
0004051470
-
-
M.V. Diudea (ed.), Nova Science Publishers, Huntington, New York
-
M.V. Diudea (ed.), QSPR/QSAR Studies by Molecular Descriptors, Nova Science Publishers, Huntington, New York, 2001.
-
(2001)
QSPR/QSAR Studies By Molecular Descriptors
-
-
-
49
-
-
0001866630
-
On characterization of 3D molecular structures
-
A.T. Balaban, ed., Plenum Press, New York
-
M. Randić and M. Razinger, On characterization of 3D molecular structures, in From Chemical Topology to Three-Dimensional Geometry, A.T. Balaban, ed., Plenum Press, New York, 1997, pp. 159-236.
-
(1997)
From Chemical Topology to Three-Dimensional Geometry
, pp. 159-236
-
-
Randić, M.1
Razinger, M.2
-
50
-
-
0030607095
-
Selection procedures in linear models
-
A. Langewisch, F. Choobineh, and H. Deng-Yuan, Selection procedures in linear models, J. Stat. Plan. Infer. 54 (1996), pp. 271-277.
-
(1996)
J. Stat. Plan. Infer
, vol.54
, pp. 271-277
-
-
Langewisch, A.1
Choobineh, F.2
Deng-Yuan, H.3
-
51
-
-
0031455964
-
Improved variable selection procedure for multivariate linear regression
-
A.D. Walmsley, Improved variable selection procedure for multivariate linear regression, Anal. Chim. Acta 354 (1997), pp. 225-232.
-
(1997)
Anal. Chim. Acta
, vol.354
, pp. 225-232
-
-
Walmsley, A.D.1
-
52
-
-
0036839633
-
Variable selection for structural models
-
Y. Kano, Variable selection for structural models, J. Stat. Plan. Infer. 108 (2002), pp. 173-187.
-
(2002)
J. Stat. Plan. Infer
, vol.108
, pp. 173-187
-
-
Kano, Y.1
-
53
-
-
1842680821
-
Variable selection bias in regression trees with constant fits
-
Y.S. Shih and H.W. Tsai, Variable selection bias in regression trees with constant fits, Comput. Stat. Data. Anal. 45 (2004), pp. 595-607.
-
(2004)
Comput. Stat. Data. Anal
, vol.45
, pp. 595-607
-
-
Shih, Y.S.1
Tsai, H.W.2
-
54
-
-
0040888006
-
A new efficient approach for variable selection based on multiregression: Prediction of gas chromatographic retention times and response factors
-
B. Lucić, N. Trinajstić, S. Sild, M. Karelson, and A.R. Katritzky, A new efficient approach for variable selection based on multiregression: prediction of gas chromatographic retention times and response factors, J. Chem. Inf. Comput. Sci. 39 (1999), pp. 610-621.
-
(1999)
J. Chem. Inf. Comput. Sci
, vol.39
, pp. 610-621
-
-
Lucić, B.1
Trinajstić, N.2
Sild, S.3
Karelson, M.4
Katritzky, A.R.5
-
55
-
-
0000481568
-
Development and validation of a novel variable selection technique with application to multidimensional quantitative structure-activity relationships studies
-
C.L. Waller and M.P. Bradley, Development and validation of a novel variable selection technique with application to multidimensional quantitative structure-activity relationships studies, J. Chem. Comput. Sci. 39 (1999), pp. 345-355.
-
(1999)
J. Chem. Comput. Sci
, vol.39
, pp. 345-355
-
-
Waller, C.L.1
Bradley, M.P.2
-
56
-
-
0000378338
-
Novel variable selection quantitative structure-property relationship approach based on the k-nearest-neighbor principle
-
W. Zheng and A. Tropsha, Novel variable selection quantitative structure-property relationship approach based on the k-nearest-neighbor principle, J. Chem. Comput. Sci. 40 (2000), pp. 185-194.
-
(2000)
J. Chem. Comput. Sci
, vol.40
, pp. 185-194
-
-
Zheng, W.1
Tropsha, A.2
-
57
-
-
0037427759
-
Comparison of different partial least-squares methods in quantitative structure-activity relationships
-
K. Tang and T. Li, Comparison of different partial least-squares methods in quantitative structure-activity relationships, Anal. Chim. Acta 476 (2003), pp. 85-92.
-
(2003)
Anal. Chim. Acta
, vol.476
, pp. 85-92
-
-
Tang, K.1
Li, T.2
-
58
-
-
0035914576
-
Comparison of different methods for variable selection
-
L. Xu and W.J. Zhang, Comparison of different methods for variable selection, Anal. Chim. Acta 446 (2001), pp. 475-481.
-
(2001)
Anal. Chim. Acta
, vol.446
, pp. 475-481
-
-
Xu, L.1
Zhang, W.J.2
-
59
-
-
0032562940
-
Variable selection for neural networks in multivariate calibration
-
F. Despagne and D.L. Massart, Variable selection for neural networks in multivariate calibration, Chemom. Intell. Lab. Syst. 40 (1998), pp. 145-163.
-
(1998)
Chemom. Intell. Lab. Syst
, vol.40
, pp. 145-163
-
-
Despagne, F.1
Massart, D.L.2
-
60
-
-
0034061686
-
Variable selection using neural-network models
-
G. Castellano and A.M. Fanelli, Variable selection using neural-network models, Neurocomputing 31 (2000), pp. 1-13.
-
(2000)
Neurocomputing
, vol.31
, pp. 1-13
-
-
Castellano, G.1
Fanelli, A.M.2
-
61
-
-
0035914572
-
Variable selection in classification of environmental soil samples for partial least square and neural network models
-
Z. Ramadan, X.H. Song, P.K. Hopke, M.J. Johnson, and K.M. Scow, Variable selection in classification of environmental soil samples for partial least square and neural network models, Anal. Chim. Acta 44 (2001), pp. 231-242.
-
(2001)
Anal. Chim. Acta
, vol.44
, pp. 231-242
-
-
Ramadan, Z.1
Song, X.H.2
Hopke, P.K.3
Johnson, M.J.4
Scow, K.M.5
-
62
-
-
0035438386
-
Toward an optimal procedure for variable selection and QSAR model building
-
A. Yasri and D. Hartsough, Toward an optimal procedure for variable selection and QSAR model building, J. Chem. Comput. Sci. 45 (2001), pp. 1218-1227.
-
(2001)
J. Chem. Comput. Sci
, vol.45
, pp. 1218-1227
-
-
Yasri, A.1
Hartsough, D.2
-
63
-
-
0030737774
-
Kohonen and counterpropagation artificial neural networks in analytical chemistry
-
J. Zupan, M. Novič, and I. Ruisanchez, Kohonen and counterpropagation artificial neural networks in analytical chemistry, Chemom. Intell. Lab. Syst. 38 (1997), pp. 1-23.
-
(1997)
Chemom. Intell. Lab. Syst
, vol.38
, pp. 1-23
-
-
Zupan, J.1
Novič, M.2
Ruisanchez, I.3
-
64
-
-
0345381744
-
Modeling toxicity by using supervised Kohonen neural networks
-
P. Mazzatorta, M. Vračko, A. Jezierska, and E. Benfenati, Modeling toxicity by using supervised Kohonen neural networks, J. Chem. Inf. Comput. Sci. 43 (2003), pp. 485-492.
-
(2003)
J. Chem. Inf. Comput. Sci
, vol.43
, pp. 485-492
-
-
Mazzatorta, P.1
Vračko, M.2
Jezierska, A.3
Benfenati, E.4
-
65
-
-
85195105721
-
-
National Institute of Chemistry, Ljubljana, Slovenia; software
-
AnnToolbox for Windows, National Institute of Chemistry, Ljubljana, Slovenia; software available at http://www.ki.si/en/display-pages/equipment/?tx_ukki_pi1%5Buid%5D1/4318&cHash1/4e267f7b447
-
AnnToolbox For Windows
-
-
-
66
-
-
0018424479
-
Describing the validity of carcinogen screening test
-
J.A. Cooper, R. Saracci, and P. Cole, Describing the validity of carcinogen screening test, Br. J. Cancer. 39 (1979), pp. 87-89.
-
(1979)
Br. J. Cancer
, vol.39
, pp. 87-89
-
-
Cooper, J.A.1
Saracci, R.2
Cole, P.3
-
67
-
-
33646023117
-
An introduction to ROC analysis, Pattern Recognit
-
T. Fawcett, An introduction to ROC analysis, Pattern Recognit. Lett. 27 (2006), pp. 861-874.
-
(2006)
Lett
, vol.27
, pp. 861-874
-
-
Fawcett, T.1
-
68
-
-
33645471168
-
Understanding receiver operating characteristic (ROC) curves
-
J. Fan, S. Upadhye, and A. Worster, Understanding receiver operating characteristic (ROC) curves, Can. J. Emerg. Med. 8 (2006), pp. 19-20.
-
(2006)
Can. J. Emerg. Med
, vol.8
, pp. 19-20
-
-
Fan, J.1
Upadhye, S.2
Worster, A.3
-
69
-
-
85195068661
-
-
Wiley, New York
-
H.L. Van Trees, Detection, Estimation, and Modulation Theory (Part I), Wiley, New York, 1968.
-
(1968)
Detection, Estimation, and Modulation Theory
, Issue.PART. I
-
-
van Trees, H.L.1
-
71
-
-
0023890867
-
Measuring the accuracy of diagnostic systems
-
J.A. Swets, Measuring the accuracy of diagnostic systems, Science 240 (1988), pp. 1285-1293.
-
(1988)
Science
, vol.240
, pp. 1285-1293
-
-
Swets, J.A.1
-
72
-
-
0031191630
-
The use of the area under the ROC curve in the evaluation of machine learning algorithms
-
A.P. Bradley, The use of the area under the ROC curve in the evaluation of machine learning algorithms, Pattern Recognit. 30 (1997), pp. 1145-1159.
-
(1997)
Pattern Recognit
, vol.30
, pp. 1145-1159
-
-
Bradley, A.P.1
-
73
-
-
0003588227
-
-
Collected Papers, Lawrence Erlbaum Associates, Mahwah, NJ
-
J.A. Swets, Signal Detection Theory and Roc Analysis in Psychology and Diagnostics, Collected Papers, Lawrence Erlbaum Associates, Mahwah, NJ, 1996.
-
(1996)
Signal Detection Theory and Roc Analysis In Psychology and Diagnostics
-
-
Swets, J.A.1
-
74
-
-
85101511266
-
-
Proceedings of the Third International Conference of Knowledge Discovery and Data Mining (KDD-97), AAAI Press, Newport Beach, CA
-
F. Provost and T. Fawcett, Analysis and Visualization of Classifier Performance: Comparison under Imprecise Class and Cost Distributions, Proceedings of the Third International Conference of Knowledge Discovery and Data Mining (KDD-97), AAAI Press, Newport Beach, CA, 1997, pp. 43-48.
-
(1997)
Analysis and Visualization of Classifier Performance: Comparison Under Imprecise Class and Cost Distributions
, pp. 43-48
-
-
Provost, F.1
Fawcett, T.2
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