-
1
-
-
0022060176
-
CSEARCH: A Computer Program for Identification of Organic Compounds and Fully Automated Assignment of Carbon-13 Nuclear Magnetic Resonance Spectra
-
Kalchhauser, H.; Robien, W. CSEARCH: A Computer Program for Identification of Organic Compounds and Fully Automated Assignment of Carbon-13 Nuclear Magnetic Resonance Spectra. J. Chem. Inf. Comput. Sci. 1985, 25, 103-108.
-
(1985)
J. Chem. Inf. Comput. Sci.
, vol.25
, pp. 103-108
-
-
Kalchhauser, H.1
Robien, W.2
-
3
-
-
24044459801
-
Carbon-13 Magnetic Resonance. II. Chemical Shift Data for the Alkanes
-
Grant, D. M.; Paul, E. G. Carbon-13 Magnetic Resonance. II. Chemical Shift Data for the Alkanes. J. Am. Chem. Soc. 1964, 86, 2984-2990.
-
(1964)
J. Am. Chem. Soc.
, vol.86
, pp. 2984-2990
-
-
Grant, D.M.1
Paul, E.G.2
-
5
-
-
0025269495
-
13C -NMR Chemical Shifts of Organic Compounds
-
13C -NMR Chemical Shifts of Organic Compounds. Anal. Chim. Acta 1990, 229, 17-25.
-
(1990)
Anal. Chim. Acta
, vol.229
, pp. 17-25
-
-
Fürst, A.1
Pretsch, E.2
-
9
-
-
0028346081
-
13C Nuclear Magnetic Resonance Shift Prediction, Spectral Simulation and Library Search
-
13C Nuclear Magnetic Resonance Shift Prediction, Spectral Simulation and Library Search. Anal. Chim. Acta 1994, 285, 223-235.
-
(1994)
Anal. Chim. Acta
, vol.285
, pp. 223-235
-
-
Cheng, H.N.1
Kasehagen, L.J.2
-
10
-
-
0011955477
-
Topological Approach of C13 NMR Spectral Simulation: Application to Fuzzy Substructures
-
Panaye, A.; Doucet, J. P.; Fan, B. T. Topological Approach of C13 NMR Spectral Simulation: Application to Fuzzy Substructures. J. Chem. Inf. Comput. Sci. 1993, 33, 258-265.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 258-265
-
-
Panaye, A.1
Doucet, J.P.2
Fan, B.T.3
-
11
-
-
0000051270
-
Carbon-13 Nuclear Magnetic Resonance Spectrum Simulation
-
Jurs, P. C.; Ball, J. W; Anker, L. S.; Friedman, T. L. Carbon-13 Nuclear Magnetic Resonance Spectrum Simulation. J. Chem. Inf. Comput. Sci. 1992, 32, 272-278.
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 272-278
-
-
Jurs, P.C.1
Ball, J.W.2
Anker, L.S.3
Friedman, T.L.4
-
12
-
-
0002422123
-
13C NMR Chemical Shifts
-
13C NMR Chemical Shifts. J. Math. Chem. 1991, 6, 63-76.
-
(1991)
J. Math. Chem.
, vol.6
, pp. 63-76
-
-
Kvasnicka, V.1
-
15
-
-
0001073965
-
13C NMR Chemical Shifts in Saturated Hydrocarbons
-
13C NMR Chemical Shifts in Saturated Hydrocarbons. Rev. Roum. Chim. 1995, 40, 1093-1101.
-
(1995)
Rev. Roum. Chim.
, vol.40
, pp. 1093-1101
-
-
Ivanciuc, O.1
-
18
-
-
0026703492
-
Prediction of Carbon-13 Nuclear Magnetic Resonance Chemical Shifts by Artificial Neural Networks
-
Anker, L. S.; Jurs, P. C. Prediction of Carbon-13 Nuclear Magnetic Resonance Chemical Shifts by Artificial Neural Networks. Anal. Chem. 1992, 64, 1157-1164.
-
(1992)
Anal. Chem.
, vol.64
, pp. 1157-1164
-
-
Anker, L.S.1
Jurs, P.C.2
-
19
-
-
85025346410
-
13C NMR Chemical Shift Data Using Artificial Neural Networks and Partial Least Squares Method
-
13C NMR Chemical Shift Data Using Artificial Neural Networks and Partial Least Squares Method. J. Mol. Struct. (Theochem) 1994, 311, 241-245.
-
(1994)
J. Mol. Struct. (Theochem)
, vol.311
, pp. 241-245
-
-
Miyashita, Y.1
Yoshida, H.2
Yaegashi, O.3
Kimura, T.4
Nishiyama, H.5
Sasaki, S.6
-
20
-
-
0011612120
-
Predicting Phosphorus NMR Shifts Using Neural Networks
-
West, G. M. J. Predicting Phosphorus NMR Shifts Using Neural Networks. J. Chem. Inf. Comput. Sci. 1993, 33, 577-589.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 577-589
-
-
West, G.M.J.1
-
21
-
-
0029235123
-
Predicting Phosphorus NMR Shifts Using Neural Networks. 2. Factors Influencing the Accuracy of Predictions
-
West, G. M. J. Predicting Phosphorus NMR Shifts Using Neural Networks. 2. Factors Influencing the Accuracy of Predictions. J. Chem. Inf. Comput. Sci. 1995, 35, 21-30.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 21-30
-
-
West, G.M.J.1
-
25
-
-
33748242731
-
Neural Networks in Chemistry
-
Gasteiger, J.; Zupan, J. Neural Networks in Chemistry. Angew. Chem., Int. Ed. Engl. 1993, 32, 503-527.
-
(1993)
Angew. Chem., Int. Ed. Engl.
, vol.32
, pp. 503-527
-
-
Gasteiger, J.1
Zupan, J.2
-
26
-
-
0027538427
-
Backpropagation Neural Networks. A Tutorial
-
Wythoff, B. J. Backpropagation Neural Networks. A Tutorial. Chemom. Intell. Lab. Syst. 1993, 18, 115-155.
-
(1993)
Chemom. Intell. Lab. Syst.
, vol.18
, pp. 115-155
-
-
Wythoff, B.J.1
-
27
-
-
0028209684
-
Using Artificial Neural Networks for Solving Chemical Problems. Part I. Multi-Layer Feed-Forward Networks
-
Smits, J. R. M.; Melssen, W. J.; Buydens, L. M. C.; Kateman, G. Using Artificial Neural Networks for Solving Chemical Problems. Part I. Multi-Layer Feed-Forward Networks. Chemom. Intell. Lab. Syst. 1994, 22, 165-189.
-
(1994)
Chemom. Intell. Lab. Syst.
, vol.22
, pp. 165-189
-
-
Smits, J.R.M.1
Melssen, W.J.2
Buydens, L.M.C.3
Kateman, G.4
-
28
-
-
85033868006
-
60 in a Variety of Solvents
-
in press
-
60 in a Variety of Solvents. Croat. Chem. Acta 1996, in press.
-
(1996)
Croat. Chem. Acta
-
-
Ivanciuc, O.1
-
29
-
-
5344255498
-
Artificial Neural Networks Applications. Part 8. The Influence of the Activation Function in the Estimation of the Sensorial Scores of Red Wine Color
-
in press
-
Ivanciuc, O. Artificial Neural Networks Applications. Part 8. The Influence of the Activation Function in the Estimation of the Sensorial Scores of Red Wine Color. Croat. Chem. Acta 1996, in press.
-
(1996)
Croat. Chem. Acta
-
-
Ivanciuc, O.1
-
30
-
-
0022471098
-
Learning Representations by Back-Propagating Errors
-
Rumelhart, D. E.: Hinton, G. E.; Williams, R. J. Learning Representations by Back-Propagating Errors. Nature 1986, 323, 533-536.
-
(1986)
Nature
, vol.323
, pp. 533-536
-
-
Rumelhart, D.E.1
Hinton, G.E.2
Williams, R.J.3
-
31
-
-
0028493701
-
A Primer on Multivariate Calibration
-
E. V. Thomas, E. V. A Primer on Multivariate Calibration. Anal. Chem. 1994, 66, 795A-804A.
-
(1994)
Anal. Chem.
, vol.66
-
-
Thomas, E.V.1
-
32
-
-
0024880831
-
Multilayer Feedforward Networks are Universal Approximators
-
Hornik, K.; Stinchcombe, M.; White, H. Multilayer Feedforward Networks are Universal Approximators. Neural Networks 1989, 2, 359-366.
-
(1989)
Neural Networks
, vol.2
, pp. 359-366
-
-
Hornik, K.1
Stinchcombe, M.2
White, H.3
-
33
-
-
0026075594
-
Applications of Neural Networks in Quantitative Structure-Activity Relationships of Dihydrofolate Reductase Inhibitors
-
Andrea, T. A.; Kalayeh, H. Applications of Neural Networks in Quantitative Structure-Activity Relationships of Dihydrofolate Reductase Inhibitors. J. Med. Chem. 1991, 34, 2824-2836.
-
(1991)
J. Med. Chem.
, vol.34
, pp. 2824-2836
-
-
Andrea, T.A.1
Kalayeh, H.2
-
34
-
-
0027212862
-
Statistics Using Neural Networks: Chance Effects
-
Livingstone, D. J.; Manallack, D. T. Statistics Using Neural Networks: Chance Effects. J. Med. Chem. 1993, 36, 1295-1297.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 1295-1297
-
-
Livingstone, D.J.1
Manallack, D.T.2
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