Статьи - ScienceDirect [2]

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1.

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http://dx.doi.org/10.1016/0003-2670(94)00063-8

Application of neural networks for interpretation of ion mobility and x-ray fluorescence spectra
Analytica Chimica Acta, Volume 292, Issue 3, 11 July 1994, Pages 243-251
Zvi Boger and Ze'ev Karpas

2.

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http://dx.doi.org/10.1016/0169-7439(93)89005-U

Prediction of infrared spectra from chemical structures of organic compounds using neural networks
Chemometrics and Intelligent Laboratory Systems, Volume 21, Issues 2-3, December 1993, Pages 151-157
Ch. Affolter and J. T. Clerc

3.

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http://dx.doi.org/10.1016/0169-7439(95)80079-O

Quantitative comparison of bidirectional and optimal associative memories for background prediction of spectra
Chemometrics and Intelligent Laboratory Systems, Volume 29, Issue 1, July 1995, Pages 51-61
Busolo Wa Wabuyele and Peter de B. Harrington

4.

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http://dx.doi.org/10.1016/0924-2031(93)E0059-B

Glucose determination in simulated blood serum solutions by Fourier transform infrared spectroscopy: investigation of spectral interferences
Vibrational Spectroscopy, Volume 6, Issue 3, March 1994, Pages 363-378
Prashant Bhandare, Yitzhak Mendelson, Erich Stohr and Robert A. Peura

5.

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http://dx.doi.org/10.1016/j.talanta.2006.05.054

Structure–activity correlations for illicit amphetamines using ANN and constitutional descriptors
Talanta, In Press, Corrected Proof, Available online 27 June 2006,
S. Gosav, M. Praisler, D.O. Dorohoi and G. Popa

6.

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http://dx.doi.org/10.1016/S0003-2670(97)00237-7

Diffuse reflectance absorbance spectroscopy taking in chemometrics (DRASTIC). A hyperspectral FT-IR-based approach to rapid screening for metabolite overproduction
Analytica Chimica Acta, Volume 348, Issues 1-3, 20 August 1997, Pages 273-282
Michael K. Winson, Royston Goodacre, Éadaoin M. Timmins, Alun Jones, Bjørn K. Alsberg, Andrew M. Woodward, Jem J. Rowland and Douglas B. Kell

7.

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http://dx.doi.org/10.1016/S0924-2031(03)00045-6

Explanatory analysis of spectroscopic data using machine learning of simple, interpretable rules
Vibrational Spectroscopy, Volume 32, Issue 1, 5 August 2003, Pages 33-45
Royston Goodacre

8.

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http://dx.doi.org/10.1016/j.theochem.2005.01.054

Alignment-free descriptors for quantitative structure–rate constant relationships of [4+2] cycloadditions
Journal of Molecular Structure: THEOCHEM, Volume 729, Issue 3, 30 September 2005, Pages 169-176
András P. Borosy, Balázs Balogh and Péter Mátyus

9.

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http://dx.doi.org/10.1016/0022-2860(93)80097-F

Neural nets for mass and vibrational spectra
Journal of Molecular Structure, Volume 292, March 1993, Pages 141-159
J. Gasteiger, X. Li, V. Simon, M. Novi and J. Zupan

10.

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doi:10.1016/S0003-2670(99)00079-3

Optimisation of structure representation for QSAR studies
Analytica Chimica Acta, Volume 388, Issue 3, 7 May 1999, Pages 243-250
Jure Zupan and Marjana Novi

11.

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doi:10.1016/S0003-2670(00)80865-X

Neural networks: A new method for solving chemical problems or just a passing phase?
Analytica Chimica Acta, Volume 248, Issue 1, 15 July 1991, Pages 1-30
J. Zupan and J. Gasteiger

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