All Stories

  1. Computer Assisted Structure Elucidation: Faster and More Reliable Solutions through Enhanced Data Preparation

    Article • Planta Medica, July 2013, Thieme Publishing Group

    Prof. Dr. Mikhail Elyashberg

  2. Structural isomerization and the evolution of the molecular world during the early universe evolution

    Article • Geochemistry International, March 2013, Pleiades Publishing Ltd

    Prof. Dr. Mikhail Elyashberg

  3. How Computer-Assisted Structure Elucidation was used to correct a structure in the literature

    Article • Journal of Natural Products, January 2013, American Chemical Society (ACS)

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  4. Blind trials of computer-assisted structure elucidation software

    Article • Journal of Cheminformatics, February 2012, Springer Science + Business Media

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg, A Moser

  5. Elucidating "Undecipherable" Chemical Structures Using CASE

    Article • Magnetic Resonance in Chemistry, January 2012, Wiley

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  6. CASE 2D NMR-based Expert Systems

    Article • November 2011, Royal Society of Chemistry

    Prof. Dr. Mikhail Elyashberg, Dr Antony John Williams

  7. Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation

    Article • November 2011, Royal Society of Chemistry

    Prof. Dr. Mikhail Elyashberg, Dr Antony John Williams

  8. Contents

    Article • January 2011, Royal Society of Chemistry

    Prof. Dr. Mikhail Elyashberg

  9. Enhanced automated structure elucidation by inclusion of two‐bond specific data

    Article • Magnetic Resonance in Chemistry, June 2010, Wiley

    Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  10. Empirical and DFT GIAO quantum‐mechanical methods of 13C chemical shifts prediction: competitors or collaborators?

    Article • Magnetic Resonance in Chemistry, January 2010, Wiley

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  11. How many chemical structures in the literature can be corrected using computer analysis of NMR data

    Article • Natural Product Reports, January 2010, Royal Society of Chemistry

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  12. Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream

    Article • Journal of Cheminformatics, March 2009, Springer Science + Business Media

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  13. The application of empirical methods of 13C NMR chemical shift prediction as a filter for determining possible relative stereochemistry

    Article • Magnetic Resonance in Chemistry, February 2009, Wiley

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  14. A systematic approach for the generation and verification of structural hypotheses

    Article • Magnetic Resonance in Chemistry, February 2009, Wiley

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  15. Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation

    Article • Progress in Nuclear Magnetic Resonance Spectroscopy, July 2008, Elsevier

    Prof. Dr. Mikhail Elyashberg, Dr Antony John Williams

  16. Applying Computer-Assisted Structure Elucidation Algorithms for the Purpose of Structure Validation: Revisiting the NMR Assignments of Hexacyclinol

    Article • Journal of Natural Products, February 2008, American Chemical Society (ACS)

    Kirill Blinov, Prof. Dr. Mikhail Elyashberg, Gary Martin, Dr Antony John Williams

  17. New computer-assisted methods for the elucidation of molecular structure from 2-D spectra

    Article • Journal of Analytical Chemistry, January 2008, Pleiades Publishing Ltd

    Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  18. Introducing ambiguity of data interpretation can provide better answers for interpreting NMR data

    Article • ChemInform, July 2007, Wiley

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  19. Are Deterministic Expert Systems for Computer‐Assisted Structure Elucidation Obsolete?

    Article • ChemInform, September 2006, Wiley

    Kirill Blinov, Prof. Dr. Mikhail Elyashberg, Dr Antony John Williams

  20. Computer-Assisted Structure Elucidation software CAN elucidate EXTREMELY complex molecules!

    Article • Journal of Chemical Information and Modeling, May 2006, American Chemical Society (ACS)

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  21. Structure Elucidation from 2D NMR Spectra Using the StrucEluc Expert System: Detection and Removal of Contradictions in the Data.

    Article • ChemInform, November 2004, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin, Prof. Dr. Mikhail Elyashberg

  22. Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments

    Article • ChemInform, July 2004, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin, Prof. Dr. Mikhail Elyashberg

  23. Structure Elucidator:  A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments

    Article • Journal of Chemical Information and Computer Sciences, March 2004, American Chemical Society (ACS)

    Kirill Blinov, Prof. Dr. Mikhail Elyashberg, Dr Antony John Williams

  24. Computer‐assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system

    Article • Magnetic Resonance in Chemistry, March 2003, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin, Prof. Dr. Mikhail Elyashberg

  25. Application of a New Expert System for the Structure Elucidation of Natural Products from Their 1D and 2D NMR Data

    Article • Journal of Natural Products, April 2002, American Chemical Society (ACS)

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  26. A new approach to computer-aided molecular structure elucidation: the expert system Structure Elucidator

    Article • Laboratory Automation & Information Management, October 1999, Elsevier

    Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  27. Expert systems for structure elucidation of organic molecules by spectral methods

    Article • Russian Chemical Reviews, July 1999, Turpion-Moscow Limited

    Prof. Dr. Mikhail Elyashberg

  28. Spectroscopic determination of elemental composition of organic compounds with the aid of the X-PERT system

    Article • Analytica Chimica Acta, May 1999, Elsevier

    Prof. Dr. Mikhail Elyashberg

  29. Infrared Spectra Interpretation by the Characteristic Frequency Approach

    Article • September 1998, Wiley

    Prof. Dr. Mikhail Elyashberg

  30. IR quantitative analysis of organic mixtures without any calibration

    Article • Analytica Chimica Acta, October 1997, Elsevier

    Prof. Dr. Mikhail Elyashberg

  31. Expert systems as a tool for the molecular structure elucidation by spectral methods. Strategies of solution to the problems

    Article • Analytica Chimica Acta, August 1997, Elsevier

    Prof. Dr. Mikhail Elyashberg

  32. X-PERT: a user-friendly expert system for molecular structure elucidation by spectral methods

    Article • Analytica Chimica Acta, January 1997, Elsevier

    Prof. Dr. Mikhail Elyashberg

  33. Quantitative molecular analysis by infrared spectrometry without standard materials

    Article • Analytica Chimica Acta, November 1995, Elsevier

    Prof. Dr. Mikhail Elyashberg

  34. Methodology of using expert systems for structure elucidation of organic molecules by their spectra

    Article • Journal of Structural Chemistry, May 1995, Springer Science + Business Media

    Prof. Dr. Mikhail Elyashberg

  35. Artificial intelligence system for molecular structure elucidation using infrared and nuclear magnetic resonance (NMR) spectra

    Article • January 1994, SPIE

    Prof. Dr. Mikhail Elyashberg

  36. An expert system for molecular structure elucidation based on spectral data

    Article • Journal of Molecular Structure THEOCHEM, May 1991, Elsevier

    Prof. Dr. Mikhail Elyashberg

  37. Carbonylation of allyl alcohol to ?-butyrolactone

    Article • Petroleum Chemistry U S S R, January 1990, Elsevier

    Prof. Dr. Mikhail Elyashberg

  38. System-related matters in the theory of solving qualitative problems of molecular spectroscopy

    Article • Journal of Molecular Structure, August 1988, Elsevier

    Prof. Dr. Mikhail Elyashberg

  39. Artificial intelligence systems for molecular spectral analysis

    Article • Talanta, January 1987, Elsevier

    Prof. Dr. Mikhail Elyashberg

  40. Elements of the applied theory of solving qualitative problems of molecular spectroscopy

    Article • Journal of Molecular Structure, July 1985, Elsevier

    Prof. Dr. Mikhail Elyashberg

  41. A dialogue computer program system for structure recognition of complex molecules by spectroscopic methods

    Article • Analytica Chimica Acta, January 1983, Elsevier

    Prof. Dr. Mikhail Elyashberg

  42. Computer-Aided Identification of Organic Molecules by Their Molecular Spectra

    Article • Critical Reviews in Analytical Chemistry, October 1979, Taylor & Francis

    Prof. Dr. Mikhail Elyashberg

  43. A new approach to the determination of molecular spatial structure based on the use of spectra and computers

    Article • Journal of Molecular Structure, January 1979, Elsevier

    Prof. Dr. Mikhail Elyashberg

  44. On the solution of one classical problem in vibrational spectroscopy

    Article • Journal of Molecular Structure, December 1978, Elsevier

    Prof. Dr. Mikhail Elyashberg

  45. Computer system for structure recognition of polyatomic molecules by i.r., n.m.r., u.v. and m.s. methods

    Article • Analytica Chimica Acta, December 1977, Elsevier

    Prof. Dr. Mikhail Elyashberg

  46. Mathematical synthesis and analysis of molecular structures

    Article • Journal of Molecular Structure, April 1976, Elsevier

    Prof. Dr. Mikhail Elyashberg

  47. Automation of spectrochemical investigations

    Article • Journal of Molecular Structure, August 1974, Elsevier

    Prof. Dr. Mikhail Elyashberg

  48. Solution of spectral problems by methods of symbolic logic

    Article • Journal of Molecular Structure, September 1971, Elsevier

    Prof. Dr. Mikhail Elyashberg

  49. Symbolic logic methods for spectrochemical investigations

    Article • Journal of Molecular Structure, March 1970, Elsevier

    Prof. Dr. Mikhail Elyashberg

  50. Computer structural-group analysis based on the infrared spectra of polyatomic molecules. III

    Article • Journal of Applied Spectroscopy, June 1968, Springer Science + Business Media

    Prof. Dr. Mikhail Elyashberg

  51. Some applications of the algebra of logic in spectrochemical studies. II

    Article • Journal of Applied Spectroscopy, April 1968, Springer Science + Business Media

    Prof. Dr. Mikhail Elyashberg

  52. Formal-logical method for interpreting infrared spectra from characteristic frequencies

    Article • Journal of Applied Spectroscopy, February 1968, Springer Science + Business Media

    Prof. Dr. Mikhail Elyashberg