Structure-Spectrum Correlations and Computer-Assisted Structure Elucidation

Applied Chemoinformatics ◽

10.1002/9783527806539.ch5 ◽

2018 ◽

pp. 133-163 ◽

Author(s):

Joao Aires de Sousa

Keyword(s):

Structure Elucidation ◽

Computer Assisted ◽

Computer Assisted Structure Elucidation ◽

Structure Spectrum

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

Planta Medica ◽

10.1055/s-0033-1348811 ◽

2013 ◽

Vol 79 (10) ◽

Author(s):

S Golotvin ◽

R Pol ◽

M Elyashberg ◽

P Wheeler

Keyword(s):

Structure Elucidation ◽

Computer Assisted ◽

Data Preparation ◽

Computer Assisted Structure Elucidation

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Components for computer-assisted structure elucidation

Chemistry Central Journal ◽

10.1186/1752-153x-3-s1-p62 ◽

2009 ◽

Vol 3 (S1) ◽

Author(s):

S Kuhn ◽

G Torrance ◽

C Steinbeck

Keyword(s):

Structure Elucidation ◽

Computer Assisted ◽

Computer Assisted Structure Elucidation

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Chapter 9. Application of Computer-assisted Structure Elucidation (CASE) Methods and NMR Prediction to Natural Products

Modern NMR Approaches to the Structure Elucidation of Natural Products : Instrumentation and Software ◽

10.1039/9781849735186-00187 ◽

2015 ◽

pp. 187-243 ◽

Author(s):

M. E. Elyashberg ◽

Antony J. Williams ◽

K. A. Blinov

Keyword(s):

Natural Products ◽

Structure Elucidation ◽

Computer Assisted ◽

Case Methods ◽

Nmr Prediction ◽

Computer Assisted Structure Elucidation

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The Impact of Long-Range1H-15N Heteronuclear Shift Correlation Data on Computer-Assisted Structure Elucidation: Posaconazole

Journal of Heterocyclic Chemistry ◽

10.1002/jhet.803 ◽

2012 ◽

Vol 49 (3) ◽

pp. 526-532 ◽

Author(s):

Bruce D. Hilton ◽

Gary E. Martin

Keyword(s):

Structure Elucidation ◽

Computer Assisted ◽

Correlation Data ◽

Computer Assisted Structure Elucidation

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ChemInform Abstract: Computer-Assisted Structure Elucidation

10.1002/chin.199238333 ◽

2010 ◽

Vol 23 (38) ◽

pp. no-no

Author(s):

L. CHEN ◽

M. ZHANG

Keyword(s):

Structure Elucidation ◽

Computer Assisted ◽

Computer Assisted Structure Elucidation

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Evolutionary-Algorithm-Based Strategy for Computer-Assisted Structure Elucidation.

10.1002/chin.200425224 ◽

2004 ◽

Vol 35 (25) ◽

Author(s):

Yongquan Han ◽

Christoph Steinbeck

Keyword(s):

Evolutionary Algorithm ◽

Structure Elucidation ◽

Computer Assisted ◽

Computer Assisted Structure Elucidation

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ChemInform Abstract: SENECA: A Platform-Independent, Distributed, and Parallel System for Computer-Assisted Structure Elucidation in Organic Chemistry.

10.1002/chin.200209263 ◽

2010 ◽

Vol 33 (9) ◽

pp. no-no

Author(s):

Christoph Steinbeck

Keyword(s):

Organic Chemistry ◽

Structure Elucidation ◽

Parallel System ◽

Computer Assisted ◽

Computer Assisted Structure Elucidation

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Review for "Computer Assisted Structure Elucidation (CASE): Current and future perspectives"

10.1002/mrc.5115/v1/review1 ◽

2020 ◽

Author(s):

William Reynolds

Keyword(s):

Structure Elucidation ◽

Computer Assisted ◽

Future Perspectives ◽

Computer Assisted Structure Elucidation

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

Magnetic Resonance in Chemistry ◽

10.1002/mrc.1187 ◽

2003 ◽

Vol 41 (5) ◽

pp. 359-372 ◽

Author(s):

Kirill A. Blinov ◽

Dean Carlson ◽

Mikhail E. Elyashberg ◽

Gary E. Martin ◽

Eduard R. Martirosian ◽

...

Keyword(s):

Natural Products ◽

Structure Elucidation ◽

2D Nmr ◽

Computer Assisted ◽

Nmr Data ◽

Data Application ◽

Computer Assisted Structure Elucidation

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Efficient Application of 2D NMR Correlation Information in Computer-Assisted Structure Elucidation of Complex Natural Products

Journal of Chemical Information and Modeling ◽

10.1021/ci00020a013 ◽

1994 ◽

Vol 34 (4) ◽

pp. 805-813 ◽

Author(s):

Chen Peng ◽

Shengang Yuan ◽

Chongzhi Zheng ◽

Yongzheng Hui

Keyword(s):

Natural Products ◽

Structure Elucidation ◽

2D Nmr ◽

Computer Assisted ◽

Correlation Information ◽

Computer Assisted Structure Elucidation

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