Prof. Dr. Mikhail Elyashberg

Computer Assisted Structure Elucidation: Faster and More Reliable Solutions through Enh...

• Planta Medica
• July 2013

Structural isomerization and the evolution of the molecular world during the early univ...

• Geochemistry International
• March 2013

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

• Journal of Natural Products
• January 2013

Blind trials of computer-assisted structure elucidation software

• Journal of Cheminformatics
• February 2012

Elucidating "Undecipherable" Chemical Structures Using CASE

• Magnetic Resonance in Chemistry
• January 2012

Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation

• January 2011

Empirical and DFT GIAO quantum-mechanical methods of13C chemical shifts prediction: com...

• Magnetic Resonance in Chemistry
• January 2010

How many chemical structures in the literature can be corrected using computer analysis...

• Natural Product Reports
• January 2010

Enhanced automated structure elucidation by inclusion of two-bond specific data

• Magnetic Resonance in Chemistry
• January 2010

A systematic approach for the generation and verification of structural hypotheses

• Magnetic Resonance in Chemistry
• May 2009

The application of empirical methods of13C NMR chemical shift prediction as a filter fo...

• Magnetic Resonance in Chemistry
• April 2009

Computer-assisted methods for molecular structure elucidation: realizing a spectroscopi...

• Journal of Cheminformatics
• March 2009

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

• Progress in Nuclear Magnetic Resonance Spectroscopy
• July 2008

Applying Computer-Assisted Structure Elucidation Algorithms for the Purpose of Structur...

• Journal of Natural Products
• April 2008

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

• Journal of Analytical Chemistry
• January 2008

Introducing ambiguity of data interpretation can provide better answers for interpretin...

• ChemInform
• August 2007

Are Deterministic Expert Systems for Computer-Assisted Structure Elucidation Obsolete?

• ChemInform
• October 2006

Computer-Assisted Structure Elucidation software CAN elucidate EXTREMELY complex molecu...

• Journal of Chemical Information and Computer Sciences
• July 2006

Structure Elucidation from 2D NMR Spectra Using the StrucEluc Expert System: Detection ...

• ChemInform
• November 2004

Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation fro...

• ChemInform
• July 2004

Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation fro...

• Journal of Chemical Information and Computer Sciences
• May 2004

Computer-assisted structure elucidation of natural products with limited 2D NMR data: a...

• Magnetic Resonance in Chemistry
• January 2003

Application of a New Expert System for the Structure Elucidation of Natural Products fr...

• Journal of Natural Products
• May 2002

Infrared Spectra Interpretation by the Characteristic Frequency Approach

• April 2002

A new approach to computer-aided molecular structure elucidation: the expert system Str...

• Laboratory Automation & Information Management
• October 1999

Expert systems for structure elucidation of organic molecules by spectral methods

• Russian Chemical Reviews
• July 1999

Spectroscopic determination of elemental composition of organic compounds with the aid ...

• Analytica Chimica Acta
• May 1999

IR quantitative analysis of organic mixtures without any calibration

• Analytica Chimica Acta
• October 1997

Expert systems as a tool for the molecular structure elucidation by spectral methods. S...

• Analytica Chimica Acta
• August 1997

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

• Analytica Chimica Acta
• January 1997

Quantitative molecular analysis by infrared spectrometry without standard materials

• Analytica Chimica Acta
• November 1995

Methodology of using expert systems for structure elucidation of organic molecules by t...

• Journal of Structural Chemistry
• May 1995

Artificial intelligence system for molecular structure elucidation using infrared and n...

• January 1994

An expert system for molecular structure elucidation based on spectral data

• Journal of Molecular Structure THEOCHEM
• May 1991

Carbonylation of allyl alcohol to ?-butyrolactone

• Petroleum Chemistry U S S R
• January 1990

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

• Journal of Molecular Structure
• August 1988

Artificial intelligence systems for molecular spectral analysis

• Talanta
• January 1987

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

• Journal of Molecular Structure
• July 1985

A dialogue computer program system for structure recognition of complex molecules by sp...

• Analytica Chimica Acta
• January 1983

Computer-Aided Identification of Organic Molecules by Their Molecular Spectra

• Critical Reviews in Analytical Chemistry
• October 1979

A new approach to the determination of molecular spatial structure based on the use of ...

• Journal of Molecular Structure
• January 1979

On the solution of one classical problem in vibrational spectroscopy

• Journal of Molecular Structure
• December 1978

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

• Analytica Chimica Acta
• December 1977

Mathematical synthesis and analysis of molecular structures

• Journal of Molecular Structure
• April 1976

Automation of spectrochemical investigations

• Journal of Molecular Structure
• August 1974

Solution of spectral problems by methods of symbolic logic

• Journal of Molecular Structure
• September 1971

Symbolic logic methods for spectrochemical investigations

• Journal of Molecular Structure
• March 1970

Computer structural-group analysis based on the infrared spectra of polyatomic molecule...

• Journal of Applied Spectroscopy
• June 1968

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

• Journal of Applied Spectroscopy
• April 1968

Formal-logical method for interpreting infrared spectra from characteristic frequencies

• Journal of Applied Spectroscopy
• February 1968

Contents

Chapter 6. CASE 2D NMR-based Expert Systems