-
1
-
-
0022562244
-
-
ACS Symposium Series 306, American Chemical Society, Washington, DC
-
Pierce, TH, Hohne, BA (eds) (1986) Artificial intelligence applications in chemistry. ACS Symposium Series 306, American Chemical Society, Washington, DC.
-
(1986)
Artificial Intelligence Applications in Chemistry
-
-
Pierce, T.H.1
Hohne, B.A.2
-
4
-
-
0023266407
-
New optimization methods from physics and biology
-
Bounds, DG (1987). New optimization methods from physics and biology. Nature, 329: 215-219.
-
(1987)
Nature
, vol.329
, pp. 215-219
-
-
Bounds, D.G.1
-
5
-
-
0025732436
-
Neural networks-A new method for solving chemical problems or just a passing phase?
-
Zupan J, Gasteiger J (1991) Neural networks-A new method for solving chemical problems or just a passing phase? Anal Chim Acta 248:1-30.
-
(1991)
Anal Chim Acta
, vol.248
, pp. 1-30
-
-
Zupan, J.1
Gasteiger, J.2
-
8
-
-
0027693102
-
Simultaneous optimization of flowshop sequencing and topology using genetic algorithms
-
Cartwright HM, Long RA (1993) Simultaneous optimization of flowshop sequencing and topology using genetic algorithms. Ind Eng Chem Res 32:2706-2713.
-
(1993)
Ind Eng Chem Res
, vol.32
, pp. 2706-2713
-
-
Cartwright, H.M.1
Long, R.A.2
-
9
-
-
84857751772
-
Knowledge transfer: Human experts to expert systems
-
Cartwright HM (ed.). Oxford University Press, Oxford
-
Lahiri S, Stillman MJ (2000) Knowledge transfer: Human experts to expert systems. In: Cartwright HM (ed.) Intelligent data analysis in science. Oxford University Press, Oxford, pp. 19-43.
-
(2000)
Intelligent data analysis in science
, pp. 19-43
-
-
Lahiri, S.1
Stillman, M.J.2
-
10
-
-
28544450051
-
Predicting box-office success of motion pictures with neural networks
-
Sharda R, Delen D (2006) Predicting box-office success of motion pictures with neural networks. Expert Systems with Applications 30:243-254.
-
(2006)
Expert Systems with Applications
, vol.30
, pp. 243-254
-
-
Sharda, R.1
Delen, D.2
-
12
-
-
12044258095
-
Theory and applications of neural computing in chemical science
-
Sumpter BG, Getino C, Noid DW (1994) Theory and applications of neural computing in chemical science. Ann Rev Phys Chem 45:439-481.
-
(1994)
Ann Rev Phys Chem
, vol.45
, pp. 439-481
-
-
Sumpter, B.G.1
Getino, C.2
Noid, D.W.3
-
13
-
-
0034367139
-
Artificial neural networks and their use in chemistry
-
Lipkowitz KB, Boyd DB (eds). Wiley-VCH, New York
-
Peterson K (2000) Artificial neural networks and their use in chemistry. In: Lipkowitz KB, Boyd DB (eds) Reviews in computational chemistry. Wiley-VCH, New York, pp. 53-140.
-
(2000)
Reviews in Computational Chemistry
, pp. 53-140
-
-
Peterson, K.1
-
14
-
-
0032842090
-
Prediction of fathead minnow acute toxicity of organic compounds from molecular structure
-
Eldred DV, Weikel CL, Jurs P, Kaiser KLE (1999) Prediction of fathead minnow acute toxicity of organic compounds from molecular structure. Chem Res Toxico 12:670-678.
-
(1999)
Chem Res Toxico
, vol.12
, pp. 670-678
-
-
Eldred, D.V.1
Weikel, C.L.2
Jurs, P.3
Kle, K.4
-
15
-
-
0034185913
-
Prediction of IC 50 values for ACAT inhibitors from molecular structure
-
Pantakar SJ, Jurs PC (2000) Prediction of IC 50 values for ACAT inhibitors from molecular structure. J Chem Inf Comput Sci 40:706-723.
-
(2000)
J Chem Inf Comput Sci
, vol.40
, pp. 706-723
-
-
Pantakar, S.J.1
Jurs, P.C.2
-
16
-
-
0002483594
-
Multivariate regression outperforms several robust architectures of neural networks in QSAR modelling
-
Lucic B, Trinajstic N J (1999) Multivariate regression outperforms several robust architectures of neural networks in QSAR modelling. J Chem Inf Comput Sci 39:121-132.
-
(1999)
J Chem Inf Comput Sci
, vol.39
, pp. 121-132
-
-
Lucic, B.1
Trinajstic N, J.2
-
17
-
-
0033045557
-
A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors
-
So S-S, Karplus M J (1999) A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors. J Comput-Aided Mol Des 13:243-258.
-
(1999)
J Comput-Aided Mol Des
, vol.13
, pp. 243-258
-
-
So, S.-S.1
Karplus, M.J.2
-
18
-
-
0030175210
-
The inhibition of a-chymotrypsin predicted using theoretically derived molecular properties
-
Beck B, Glen R, Clark TJ (1996) The inhibition of a-chymotrypsin predicted using theoretically derived molecular properties. J Mol Graph 14:130-135.
-
(1996)
J Mol Graph
, vol.14
, pp. 130-135
-
-
Beck, B.1
Glen, R.2
Clark, T.J.3
-
20
-
-
26844440852
-
Classification of olive oils using high throughput flow 1 H NMR fingerprinting with principal component analysis, linear discriminant analysis and probabilistic neural networks
-
Rezzi S, Axelson DE, Heberger K, Reniero F, Mariani C, Guillou C (2005) Classification of olive oils using high throughput flow 1 H NMR fingerprinting with principal component analysis, linear discriminant analysis and probabilistic neural networks. Anal Chim Acta 552:13-24.
-
(2005)
Anal Chim Acta
, vol.552
, pp. 13-24
-
-
Rezzi, S.1
Axelson, D.E.2
Heberger, K.3
Reniero, F.4
Mariani, C.5
Guillou, C.6
-
21
-
-
25144518844
-
Comparison of k-NN and neural network methods in the classification of spectral data from an optical fibre-based sensor system used for quality control in the food industry
-
O'Farrell M, Lewis E, Flanagan C, Lyons W, Jackman N (2005) Comparison of k-NN and neural network methods in the classification of spectral data from an optical fibre-based sensor system used for quality control in the food industry. Sensors and Actuators B 111-112:254-362.
-
(2005)
Sensors and Actuators B
, vol.111-112
, pp. 254-362
-
-
O'Farrell, M.1
Lewis, E.2
Flanagan, C.3
Lyons, W.4
Jackman, N.5
-
22
-
-
33645744088
-
Finding the composition of gas mixtures by a phthalocyanine-coated QCM sensor array and an artificial neural network
-
Ozmen A, Tekce F, Ebeolgu MA, Tasaltin C, Ozturk ZZ (2006) Finding the composition of gas mixtures by a phthalocyanine-coated QCM sensor array and an artificial neural network. Sensor and Accuators B 115:450-454.
-
(2006)
Sensor and Accuators B
, vol.115
, pp. 450-454
-
-
Ozmen, A.1
Tekce, F.2
Ebeolgu, M.A.3
Tasaltin, C.4
Ozturk, Z.Z.5
-
23
-
-
22944472674
-
Identification of Staphylococcus aureus infections in hospital environment: Electronic nose based approach
-
Dutta R, Morgan D, Baker N, Gardner JW, Hines EL (2005) Identification of Staphylococcus aureus infections in hospital environment: Electronic nose based approach. Sensors and Actuators B 109, 355-362.
-
(2005)
Sensors and Actuators B
, vol.109
, pp. 355-362
-
-
Dutta, R.1
Morgan, D.2
Baker, N.3
Gardner, J.W.4
Hines, E.L.5
-
24
-
-
0028799885
-
The electronic NOSE and its application to the manufacture of foods
-
Hodgins D, Simmonds D (1995) The electronic NOSE and its application to the manufacture of foods. J. Automated Chemistry 17:179-185.
-
(1995)
J. Automated Chemistry
, vol.17
, pp. 179-185
-
-
Hodgins, D.1
Simmonds, D.2
-
25
-
-
0029310025
-
Versatile microcontrolled gas sensor array system using the quartz microbalance principle and pattern recognition methods
-
Auge J, Hauptmann P, Hartmann J, Rosler S, Lucklum R (1995) Versatile microcontrolled gas sensor array system using the quartz microbalance principle and pattern recognition methods. Sensors and Actuators B 26:181-186.
-
(1995)
Sensors and Actuators B
, vol.26
, pp. 181-186
-
-
Auge, J.1
Hauptmann, P.2
Hartmann, J.3
Rosler, S.4
Lucklum, R.5
-
26
-
-
0030958785
-
-
Crown ether-coated piezoelectric crystal sensor array for detection of organic vapour mixtures using several chemometric methods
-
Xing W-L, He X-W (1997) Crown ether-coated piezoelectric crystal sensor array for detection of organic vapour mixtures using several chemometric methods. Analyst 122:587-592.
-
(1997)
Analyst
, vol.122
, pp. 587-592
-
-
Xing, W.-L.1
He, X.-W.2
-
27
-
-
33747397335
-
Simultaneous determination of molybdenum (VI) and tungsten (VI) and its application in elemental analysis of polyoxometalates
-
Lubal P, Koprivova H, Sedo O, Havel J, Lis S, But S (2006) Simultaneous determination of molybdenum (VI) and tungsten (VI) and its application in elemental analysis of polyoxometalates. Talanta 69:800-806.
-
(2006)
Talanta
, vol.69
, pp. 800-806
-
-
Lubal, P.1
Koprivova, H.2
Sedo, O.3
Havel, J.4
Lis, S.5
But, S.6
-
28
-
-
0034002401
-
Prediction of toxicity of organophosphorus insecticides against the midge, Chironomus riparius, via a QSAR neural network model integrating environmental variable
-
Devillers J (2000) Prediction of toxicity of organophosphorus insecticides against the midge, Chironomus riparius, via a QSAR neural network model integrating environmental variable. Toxicol Methods 10:69-79.
-
(2000)
Toxicol Methods
, vol.10
, pp. 69-79
-
-
Devillers, J.1
-
29
-
-
0036665978
-
Investigation of structure-biodegradability relationships in polychlorinated biphenyls using self-organising maps
-
Cartwright HM (2002) Investigation of structure-biodegradability relationships in polychlorinated biphenyls using self-organising maps. Neural Comput & Applic 11:30-36.
-
(2002)
Neural Comput & Applic
, vol.11
, pp. 30-36
-
-
Cartwright, H.M.1
-
30
-
-
0025737494
-
Prediction of the biodegradability of organic chemicals by an artificial neural network
-
Zitko V (1991) Prediction of the biodegradability of organic chemicals by an artificial neural network. Chemosphere 23:305-312.
-
(1991)
Chemosphere
, vol.23
, pp. 305-312
-
-
Zitko, V.1
-
31
-
-
0033959235
-
Quantitative structure-property relationships in pharmaceutical research-part 1
-
Grover M, Singh B, Bakshi M, Singh S (2000) Quantitative structure-property relationships in pharmaceutical research-part 1. PSTT 3:28-35.
-
(2000)
PSTT
, vol.3
, pp. 28-35
-
-
Grover, M.1
Singh, B.2
Bakshi, M.3
Singh, S.4
-
32
-
-
0024716284
-
Atomic physicochemical parameters for three dimensional structure directed quantitative structure-Activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
-
Viswanadhan VN, Ghose AK, Revankar GR, Robins R (1989) Atomic physicochemical parameters for three dimensional structure directed quantitative structure-Activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics. J Chem Inf Comput Sci 29:163-172.
-
(1989)
J Chem Inf Comput Sci
, vol.29
, pp. 163-172
-
-
Viswanadhan, V.N.1
Ghose, A.K.2
Revankar, G.R.3
Robins, R.4
-
33
-
-
84857708134
-
Neural networks in medicinal chemistry: Encoding graphic structures and their prediction capability
-
September 28-30, Salamanca, Spain
-
Stud M (1993) Neural networks in medicinal chemistry: Encoding graphic structures and their prediction capability. In: VII congreso de la sociedad espanola de quimica terapeutica, September 28-30, Salamanca, Spain.
-
(1993)
VII Congreso de la Sociedad Espanola de Quimica Terapeutica
-
-
Stud, M.1
-
34
-
-
84957030670
-
Representation and hidden bias: Gray vs. Binary coding for genetic algorithms
-
Morgan Kaufmann, San Mateo, CA
-
Caruana R, Schaffer JD (1988) Representation and hidden bias: Gray vs. binary coding for genetic algorithms. In: Proc. Vth int. Conf. On machine learning, Morgan Kaufmann, San Mateo, CA, pp. 132-161.
-
(1988)
Proc. Vth Int. Conf. On Machine Learning
, pp. 132-161
-
-
Caruana, R.1
Schaffer, J.D.2
-
35
-
-
0005534114
-
Structure-selectivity relationships of MAO inhibitors using neural networks
-
Cherqaoui D, Esseffar M, Zakarya D, Mesbah A, Villemin D (1998) Structure-selectivity relationships of MAO inhibitors using neural networks. ACH-Models Chem 135:79-92.
-
(1998)
ACH-Models Chem
, vol.135
, pp. 79-92
-
-
Cherqaoui, D.1
Esseffar, M.2
Zakarya, D.3
Mesbah, A.4
Villemin, D.5
-
36
-
-
0030026012
-
Using artificial neural networks to predict biological activity from simple molecular structural considerations
-
Burden FR (1996) Using artificial neural networks to predict biological activity from simple molecular structural considerations. Quant Struc-Act Relat 15:7-11.
-
(1996)
Quant Struc-Act Relat
, vol.15
, pp. 7-11
-
-
Burden, F.R.1
-
37
-
-
0042029333
-
Neural networks as a method for elucidating structure-property relationships for organic compounds
-
Halberstam NM, Baskin II, Palyulin VA, Zefirov NS (2003) Neural networks as a method for elucidating structure-property relationships for organic compounds. Uspekhi Khimii 72:706-727.
-
(2003)
Uspekhi Khimii
, vol.72
, pp. 706-727
-
-
Halberstam, N.M.1
Baskin, I.I.2
Palyulin, V.A.3
Zefirov, N.S.4
-
40
-
-
0002045837
-
Applications of artificial neural networks to the analysis of multivariate data
-
Cartwright HM (ed.), Oxford University Press, Oxford
-
Goodacre R (2000) Applications of artificial neural networks to the analysis of multivariate data. In: Cartwright HM (ed.) Intelligent data analysis in science, Oxford University Press, Oxford, pp. 123-152.
-
(2000)
Intelligent Data Analysis in Science
, pp. 123-152
-
-
Goodacre, R.1
-
41
-
-
0028224830
-
Feature extraction of polysaccharides by low-dimensional internal representation neural networks and infrared spectroscopy
-
Jacobsson SP (1994) Feature extraction of polysaccharides by low-dimensional internal representation neural networks and infrared spectroscopy. Anal Chim Acta 291:19-27.
-
(1994)
Anal Chim Acta
, vol.291
, pp. 19-27
-
-
Jacobsson, S.P.1
-
42
-
-
27644521339
-
Robustness, evolvability and optimality of evolutionary neural networks
-
Palmes PP, Usui S (2005) Robustness, evolvability and optimality of evolutionary neural networks. BioSystems 82:168-188.
-
(2005)
BioSystems
, vol.82
, pp. 168-188
-
-
Palmes, P.P.1
Usui, S.2
-
43
-
-
33750126257
-
Growing grid-A self-organizing network with constant neighborhood range and adaption strength
-
Fritzke B (1995) Growing grid-A self-organizing network with constant neighborhood range and adaption strength. Neural Processing Letters 2:9-13.
-
(1995)
Neural Processing Letters
, vol.2
, pp. 9-13
-
-
Fritzke, B.1
-
44
-
-
0037749691
-
Visualizing high-dimensional structure with the incremental grid growing network
-
Morgan Kaufmann, San Francisco
-
Blackmore J, Miikkulainen R (1995) Visualizing high-dimensional structure with the incremental grid growing network. In: Proc. XIIth internat. Conf. On machine learning. Morgan Kaufmann, San Francisco, pp. 55-63.
-
(1995)
Proc. XIIth Internat. Conf. On Machine Learning
, pp. 55-63
-
-
Blackmore, J.1
Miikkulainen, R.2
-
45
-
-
0000742931
-
A neural gas network learns topologies
-
Kohonen KMT, Simula O, Kangas J. (eds). North Holland, Amsterdam
-
Martinetz M, Schulten KJ (1991) A neural gas network learns topologies. In: Kohonen KMT, Simula O, Kangas J. (eds) Artificial neural networks. North Holland, Amsterdam, pp. 397-402.
-
(1991)
Artificial Neural Networks
, pp. 397-402
-
-
Martinetz, M.1
Schulten, K.J.2
-
46
-
-
0033619476
-
Visualisation of biomedical datasets by use of growing cell structure networks: A novel diagnostic classification technique
-
Walker AJ, Cross SS, Harrison RF (1999) Visualisation of biomedical datasets by use of growing cell structure networks: A novel diagnostic classification technique. The Lancet 354:1518-1521.
-
(1999)
The Lancet
, vol.354
, pp. 1518-1521
-
-
Walker, A.J.1
Cross, S.S.2
Harrison, R.F.3
-
47
-
-
23244445943
-
Deterministic projection by growing cell structure networks for visualization of high-dimensionality datasets
-
Wong JWH, Cartwright HM (2005) Deterministic projection by growing cell structure networks for visualization of high-dimensionality datasets. J Biomed Inform 38:322-330.
-
(2005)
J Biomed Inform
, vol.38
, pp. 322-330
-
-
Jwh, W.1
Cartwright, H.M.2
-
48
-
-
1542435010
-
A SOM projection technique with the growing structure for visualising high-dimensional data
-
Wu Z, Yen G (2003) A SOM projection technique with the growing structure for visualising high-dimensional data. Int J Neural Systems 13:353-365.
-
(2003)
Int J Neural Systems
, vol.13
, pp. 353-365
-
-
Wu, Z.1
Yen, G.2
-
51
-
-
33646084843
-
Artificial neural networks based on principal component analysis input selection for quantification in overlapped capillary electrophoresis peaks
-
Zhang X, Li H, Hou A, Havel J (2006) Artificial neural networks based on principal component analysis input selection for quantification in overlapped capillary electrophoresis peaks. Chemometr Intell Lab Syst 82:165-175.
-
(2006)
Chemometr Intell Lab Syst
, vol.82
, pp. 165-175
-
-
Zhang, X.1
Li, H.2
Hou, A.3
Havel, J.4
-
52
-
-
0027513960
-
Applications of neural networks in structure-Activity relationships of a small number of molecules
-
Tetko IV, Luik AI, Poda GI (1993) Applications of neural networks in structure-Activity relationships of a small number of molecules. J Med Chem 36:811-814.
-
(1993)
J Med Chem
, vol.36
, pp. 811-814
-
-
Tetko, I.V.1
Luik, A.I.2
Poda, G.I.3
-
53
-
-
0032536127
-
Neural networks for optimization of high-performance capillary zone electrophoresis methods: A new method using a combination of experimental design and artificial neural networks
-
Havel J, Pena-Mendez EM, Rojas-Hernandez A, Doucet J-P, Panaye A (1998) Neural networks for optimization of high-performance capillary zone electrophoresis methods: A new method using a combination of experimental design and artificial neural networks. J Chromatogr A 793:317-329.
-
(1998)
J Chromatogr A
, vol.793
, pp. 317-329
-
-
Havel, J.1
Pena-Mendez, E.M.2
Rojas-Hernandez, A.3
Doucet, J.-P.4
Panaye, A.5
-
54
-
-
0034731664
-
Artificial neural networks in liquid chromatography: Efficient and improved quantitative structure-retention relationship models
-
Yannis LL (2000) Artificial neural networks in liquid chromatography: Efficient and improved quantitative structure-retention relationship models. J Chromatogr A 904:119-129.
-
(2000)
J Chromatogr A
, vol.904
, pp. 119-129
-
-
Yannis, L.L.1
-
55
-
-
0037032657
-
Evaluation of calibration data in capillary electrophoresis using artificial neural networks to increase precision of analysis
-
Polaskova P, Bocaz G, Li H, Havel J (2002) Evaluation of calibration data in capillary electrophoresis using artificial neural networks to increase precision of analysis. J Chromatogr A 979:59-67.
-
(2002)
J Chromatogr A
, vol.979
, pp. 59-67
-
-
Polaskova, P.1
Bocaz, G.2
Li, H.3
Havel, J.4
-
57
-
-
0037008247
-
Preparative liquid chromatography
-
Guiochon GJ (2002) Preparative liquid chromatography. J Chromatogr A 965:129-161.
-
(2002)
J Chromatogr A
, vol.965
, pp. 129-161
-
-
Guiochon, G.J.1
-
58
-
-
0001366010
-
Identification of small amounts of organic compounds by distribution studies. II. Separation by counter-current distribution
-
Craig LC (1944) Identification of small amounts of organic compounds by distribution studies. II. Separation by counter-current distribution. J Biol Chem 155:519-534.
-
(1944)
J Biol Chem
, vol.155
, pp. 519-534
-
-
Craig, L.C.1
-
59
-
-
26844446812
-
Optimization of gradient elution conditions in multicomponent preparative liquid chromatography
-
Shan Y, Seidel-Morgenstern A (2005) Optimization of gradient elution conditions in multicomponent preparative liquid chromatography. J Chromatography A 1093:47-58.
-
(2005)
J Chromatography A
, vol.1093
, pp. 47-58
-
-
Shan, Y.1
Seidel-Morgenstern, A.2
-
60
-
-
28244458405
-
Evaluation of different reaction strategies for the improvement of cetane number in diesel fuels
-
Santana RC, Do PT, Santikunaporn M, Alvarez WE, Taylor JD, Sughrue EL, Resasco DE (2006) Evaluation of different reaction strategies for the improvement of cetane number in diesel fuels. Fuel 85:643-656.
-
(2006)
Fuel
, vol.85
, pp. 643-656
-
-
Santana, R.C.1
Do, P.T.2
Santikunaporn, M.3
Alvarez, W.E.4
Taylor, J.D.5
Sughrue, E.L.6
Resasco, D.E.7
-
61
-
-
21844468885
-
Octane prediction of gasoline blends using neural nets
-
Billingsley D (1995) Octane prediction of gasoline blends using neural nets. Proc NPRA Comput Conf.
-
(1995)
Proc NPRA Comput Conf
-
-
Billingsley, D.1
-
62
-
-
0344272303
-
A neural network approach to the prediction of cetane number of diesel fuels using nuclear magnetic resonance (NMR) spectroscopy
-
Basu B, Kapur GS, Sarpal AS, Meusinger R (2003) A neural network approach to the prediction of cetane number of diesel fuels using nuclear magnetic resonance (NMR) spectroscopy. Energy and Fuels 6:1570-1575.
-
(2003)
Energy and Fuels
, vol.6
, pp. 1570-1575
-
-
Basu, B.1
Kapur, G.S.2
Sarpal, A.S.3
Meusinger, R.4
-
63
-
-
29744469216
-
Prediction of the distillation profile and cold properties of diesel fuels using mid-IR spectroscopy and neural networks
-
Pasadakis N, Sourligas S, Foteinopoulos C (2006) Prediction of the distillation profile and cold properties of diesel fuels using mid-IR spectroscopy and neural networks. Fuel 85:1131-1137.
-
(2006)
Fuel
, vol.85
, pp. 1131-1137
-
-
Pasadakis, N.1
Sourligas, S.2
Foteinopoulos, C.3
-
65
-
-
0034213103
-
Basic concepts of artificial neural network (ANN) modelling and its application in pharmaceutical research
-
Agatonovic-Kustrin S, Beresford R (2000) Basic concepts of artificial neural network (ANN) modelling and its application in pharmaceutical research. J Pharm Biomed Anal 22:717-727.
-
(2000)
J Pharm Biomed Anal
, vol.22
, pp. 717-727
-
-
Agatonovic-Kustrin, S.1
Beresford, R.2
-
66
-
-
0043146556
-
Application of neural networks in structure-Activity relationships
-
Kovesdi I, Dominguez-Rodriguez MF, Orfi L, Naray-Szabo G, Papp JG, Matyus P (1999) Application of neural networks in structure-Activity relationships. Med Res Rev 19:249-269.
-
(1999)
Med Res Rev
, vol.19
, pp. 249-269
-
-
Kovesdi, I.1
Dominguez-Rodriguez, M.F.2
Orfi, L.3
Naray-Szabo, G.4
Papp, J.G.5
Matyus, P.6
-
67
-
-
0032735695
-
Neural networks in drug discovery: Have they lived up to their promise?
-
Manallack DT, Livingstone DJ (1999) Neural networks in drug discovery: Have they lived up to their promise? Eur J Med Chem 34:195-208.
-
(1999)
Eur J Med Chem
, vol.34
, pp. 195-208
-
-
Manallack, D.T.1
Livingstone, D.J.2
-
68
-
-
30344436363
-
A neural network based classification scheme for cytotoxicity predictions: Validation on 30,000 compounds
-
Molnar L, Kereru GM, Papp A, Lorincz Z, Ambrus G, Darvas F (2005) A neural network based classification scheme for cytotoxicity predictions: Validation on 30,000 compounds. Bioorg & Med Chem Letts 16:1037-1039.
-
(2005)
Bioorg & Med Chem Letts
, vol.16
, pp. 1037-1039
-
-
Molnar, L.1
Kereru, G.M.2
Papp, A.3
Lorincz, Z.4
Ambrus, G.5
Darvas, F.6
-
69
-
-
33645466603
-
In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: Trends, problems and solutions
-
Balakin KV, Savchuk NP, Tetko IV (2006) In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: Trends, problems and solutions. Curr Med Chem 13:223-241.
-
(2006)
Curr Med Chem
, vol.13
, pp. 223-241
-
-
Balakin, K.V.1
Savchuk, N.P.2
Tetko, I.V.3
-
70
-
-
0346960901
-
Direct analysis of blood serum by total reflection X-ray fluorescence spectrometry and application of an artificial neural network approach for cancer diagnosis
-
Hernandez-Caraballo EA, Marco-Parra LM (2003) Direct analysis of blood serum by total reflection X-ray fluorescence spectrometry and application of an artificial neural network approach for cancer diagnosis. Spectrochimica Acta Part B 58:2205-2213.
-
(2003)
Spectrochimica Acta Part B
, vol.58
, pp. 2205-2213
-
-
Hernandez-Caraballo, E.A.1
Marco-Parra, L.M.2
-
71
-
-
0028339559
-
Rapid identification using pyrolysis mass spectrometry and artificial neural networks of Propionibacterium acnes isolate from dogs
-
Goodacre R, Neal MJ, Kell DB, Greenham LW, Noble WC, Harvey RG (1994) Rapid identification using pyrolysis mass spectrometry and artificial neural networks of Propionibacterium acnes isolate from dogs. J Appl Bacteriology 76:124-134.
-
(1994)
J Appl Bacteriology
, vol.76
, pp. 124-134
-
-
Goodacre, R.1
Neal, M.J.2
Kell, D.B.3
Greenham, L.W.4
Noble, W.C.5
Harvey, R.G.6
-
72
-
-
0030470681
-
Classification of species of the genus Penicillium by Curie Point pyrolysis mass spectrometry followed by multivariate analysis and artificial neural networks
-
Nilsson T, Bassani, MR, Larsen TO, Montanarella L (1996) Classification of species of the genus Penicillium by Curie Point pyrolysis mass spectrometry followed by multivariate analysis and artificial neural networks. J Mass Spectrom 31:1422-1428.
-
(1996)
J Mass Spectrom
, vol.31
, pp. 1422-1428
-
-
Nilsson, T.1
Bassani, M.R.2
Larsen, T.O.3
Montanarella, L.4
-
73
-
-
33645241254
-
Determination of the phenolic composition of sherry and table white wines by liquid chromatography and their relation with antioxidant activity
-
Fernandez-Pachon MS, Villano D, Troncoso AM, Garcia-Parilla MC (2005) Determination of the phenolic composition of sherry and table white wines by liquid chromatography and their relation with antioxidant activity. Anal Chim Acta 563:101-108.
-
(2005)
Anal Chim Acta
, vol.563
, pp. 101-108
-
-
Fernandez-Pachon, M.S.1
Villano, D.2
Troncoso, A.M.3
Garcia-Parilla, M.C.4
-
74
-
-
0031020195
-
Antioxidant and prooxidant behaviour of flavonoids: Structure-activity relationships
-
Cao G, Sofic E, Prior RL (1997) Antioxidant and prooxidant behaviour of flavonoids: Structure-activity relationships. Free Radic Biol Med 22:749-760.
-
(1997)
Free Radic Biol Med
, vol.22
, pp. 749-760
-
-
Cao, G.1
Sofic, E.2
Prior, R.L.3
-
75
-
-
0035099168
-
Flavonoids as peroxynitrite scavengers: The role of the hydroxyl groups
-
Heijnene CGM, Haenen GRMM, Van Acker FAA, Van Der Vijgh W, Bast A (2001) Flavonoids as peroxynitrite scavengers: The role of the hydroxyl groups. Toxicol in Vitro 15:3-6.
-
(2001)
Toxicol in Vitro
, vol.15
, pp. 3-6
-
-
Cgm, H.1
Grmm, H.2
Van Acker, F.A.A.3
Van Der Vijgh, W.4
Bast, A.5
|