D.1 |
J. Gasteiger, J. Zupan
"Neural Networks in Chemistry"
Angew. Chem. Int. Ed. Engl
32 (1993) 503 - 527. |
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D.2 |
J. Gasteiger, J.
Zupan
"Neuronale Netze in der Chemie"
Angew. Chem. 105 (1993)
510 - 536. |
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Full Paper (HTML) |
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D.3 |
J. Gasteiger, X. Li
"Abbildung elektrostatischer Potentiale
muscarinischer und nicotinischer Agonisten mit
künstlichen neuronalen Netzen"
Angew. Chem. 106 (1994)
671 - 674. |
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Full
Paper (HTML) |
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D.4 |
J. Gasteiger, X.
Li
"Mapping the Electrostatic Potential of Muscarinic
and Nicotinic Agonists with Artificial Neural
Networks"
Angew. Chem. Int. Ed. Engl.
33 (1994) 643 - 646. |
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Full Paper
(HTML) |
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D.5 |
S. Anzali, J. Gasteiger, U. Holzgrabe, J.
Polanski, J. Sadowski, A. Teckentrup, M.
Wagener
"The Use of Self-Organizing Neural Networks in
Drug Design"
in 3D QSAR im Drug Design - Volume 2
H. Kubinyi, G. Folkers, Y.C. Martin (Ed.),
Kluwer/ESCOM, Dordrecht, NL, 1998, p. 273-299. |
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Full
Paper (HTML) |
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D.6 |
L. Chen, J.
Gasteiger
"Organische Reaktionen mit Hilfe neuronaler Netze
klassifiziert: Michael-Additionen,
Friedel-Crafts-Alkylierungen durch Alkene und
verwandte Reaktionen"
Angew. Chem. 108 (1996)
844 - 846. |
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D.7 |
L. Chen, J. Gasteiger
"Organic Reactions Classified by Neural Networks:
Michael Additions, Friedel-Crafts Alkylations by
Alkenes, and Related Reactions"
Angew. Chem. Int. Ed. Engl.
35 (1996) 763 - 765. |
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Paper (HTML) |
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D.8 |
J. Zupan, M. Novic
"General Type of a Uniform and Reversible
Representation of Chemical Structures"
Anal. Chim. Acta 348
(1997) 409 - 418. |
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Abstract (HTML) Full Paper (PDF) Full Paper (PS) |
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D.9 |
J. Zupan
"Introduction to Artificial Neural Network (ANN)
Methods: What They Are and How to Use Them"
Acta Chim. Slov. 41
(1994) 327 - 352. |
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Abstract (HTML) Full Paper (PDF) Full Paper (PS) |
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D.10 |
J. Zupan, M. Novic, X.
Li, J. Gasteiger
"Classification of Multicomponent Analytical Data
of Olive Oils using Different Neural Networks"
Anal. Chim. Acta 292
(1994) 219 - 234. |
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Abstract (HTML) Abstract (PDF) Abstract (PS) |
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D.11 |
I. Ruisanchez, J. Lozano, M. S. Larrechi, F. X.
Rius, J. Zupan
"On-line Automated Analytical Signal Diagnosis in
Sequential Injection Analysis Systems Using
Artificial Neural Networks"
Anal. Chim. Acta 348
(1997) 113 - 128. |
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Abstract (HTML)
Abstract (PDF) Abstract (PS) |
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D.12 |
J. Zupan, M. Novic, J.
Gasteiger
"Neural Networks with Counter-propagation Learning
Strategy Used for Modelling"
Chemom. Intell. Lab. Syst.
27 (1995) 175 - 187. |
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Abstract (HTML) Abstract (PDF) Abstract (PS) |
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D.13 |
J. Lozano, M. Novic, F.X. Rius, J. Zupan
"Modelling Metabolic Energy by Neural
Networks"
Chemom. Intell. Lab. Syst.
28 (1995) 61 - 72. |
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Abstract (HTML)
Abstract (PDF) Abstract (PS) |
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D.14 |
J. Zupan, M. Novic, I.
Ruisanchez
"Kohonen and Counterpropagation Artificial Neural
Networks in Analytical Chemistry"
Chemom. Intell. Lab. Syst.
38 (1997) 1 - 23. |
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Abstract (HTML) Abstract (PDF) Abstract (PS) |
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D.15 |
M. Novic, J. Zupan
"Investigation of Infrared Spectra-Structure
Correlation Using Kohonen and Counterpropagation
Neural Network"
J. Chem. Inf. Comput. Sci.
35 (1995) 454 - 466. |
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Abstract (HTML)
Abstract (PDF) Abstract (PS) |
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D.16 |
M. Wagener, J.
Sadowski, and J. Gasteiger
"Autocorrelation of Molecular Surface Properties
for Modeling Corticosteroid Binding Globulin and
Cytosolic Ah Receptor Activity by Neural
Networks"
J. Am. Chem. Soc. 117
(1995) 7769 - 7775. |
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10% of the full paper
(HTML) |