+++pubs.acs ост 3 ст+++

[fresh1112]

Добрый вечер, уважаемые коллеги, помогите, пожалуйста, со следующей подборке о прогнозе масс-спектров:
1. - Automated Compatibility Tests of the Molecular Formulas or Structures of Organic Compounds with Their Mass Spectra
Bernhard Seebass and Ernö Pretsch
Journal of Chemical Information and Computer Sciences1999 39 (4), 713-717

DOI:

http://dx.doi.org/10.1021/ci980171b

2. - New Computer Aided Methods for Revealing Structural Features of Unknown Compounds Using Low Resolution Mass Spectra
Konstantin S. Lebedev and Daniel Cabrol-Bass
Journal of Chemical Information and Computer Sciences1998 38 (3), 410-419

DOI:

http://dx.doi.org/10.1021/ci970083b

3. - Computer Methods of Molecular Structure Elucidation from Unknown Mass Spectra
IN KI MUN and FRED W. McLAFFERTY
Supercomputers in Chemistry, Chapter 8, 1981, pp 117-124
ACS Symposium Series, Volume 173

DOI:

http://dx.doi.org/10.1021/bk-1981-0173.ch008

4. - Prediction of mass spectra from structural information
J. Gasteiger, W. Hanebeck, K. P. Schulz
J. Chem. Inf. Comput. Sci., 1992, 32 (4), pp 264–271

DOI:

http://dx.doi.org/10.1021/ci00008a001

5. - Prediction on the mass spectra of normal alkanes with the molecular orbital theory
Mitsuo Saito, Iwao Fujita, Kozo Hirota
J. Phys. Chem., 1970, 74 (16), pp 3147–3148

DOI:

http://dx.doi.org/10.1021/j100710a023

6. - Charge Prediction Machine: Tool for Inferring Precursor Charge States of Electron Transfer Dissociation Tandem Mass Spectra
Paulo C. Carvalho, Daniel Cociorva, Catherine C. L. Wong, Maria da Gloria da C. Carvalho, Valmir C. Barbosa and John R. Yates,
Anal. Chem., 2009, 81 (5), pp 1996–2003

DOI:

http://dx.doi.org/10.1021/ac8025288

7. - Prediction of substructures from unknown mass spectra by the self-training interpretive and retrieval system
Kevin S. Haraki, Rengachari Venkataraghavan, Fred W. McLafferty
Anal. Chem., 1981, 53 (3), pp 386–392

DOI:

http://dx.doi.org/10.1021/ac00226a004

8. - Joint Neural Network Interpretation of Infrared and Mass Spectra
Christoph Klawun and Charles L. Wilkins
J. Chem. Inf. Comput. Sci., 1996, 36 (2), pp 249–257

DOI:

http://dx.doi.org/10.1021/ci9501002

9. - Acquisition and Representation of Knowledge for Expert Systems in Organic Chemistry
J. Gasteiger, M. G. Hutchings, P. Löw, and H. Saller
Artificial Intelligence Applications in Chemistry, Chapter 21, 1986, pp 258-276
ACS Symposium Series, Volume 306

DOI:

http://dx.doi.org/10.1021/bk-1986-0306.ch021

10. - Computer Programs for the Deductive Solution of Chemical Problems on the Basis of a Mathematical Model of Chemistry
JOSEF BRANDT, JOSEF FRIEDRICH, JOHANN GASTEIGER, CLEMENS JOCHUM, WOLFGANG SCHUBERT, and IVAR UGI
Computer-Assisted Organic Synthesis, Chapter 2, 1977, pp 33-59
ACS Symposium Series, Volume 61

DOI:

http://dx.doi.org/10.1021/bk-1977-0061.ch002

Спасибо.

[FadingDream]

Кроме 3,9 и 10.
Буду знать, куда обращаться при проблемах с MS

[fresh1112]

Без проблем. Спасибо.

[eFo]

3, 9, 10

[fresh1112]

спасибо