(Q52049945)

20 April 2018

title

Automated structure elucidation of organic molecules from (13)c NMR spectra using genetic algorithms and neural networks (English)

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20 April 2018

author

Jens Meiler

series ordinal

1

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20 April 2018

author name string

Will M

series ordinal

2

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publication date

1 November 2001

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20 April 2018

Journal of Chemical Information and Computer Sciences

published in

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volume

41

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20 April 2018

issue

6

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page(s)

1535-1546

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20 April 2018

Neural Network Prediction of Carbon-13 NMR Chemical Shifts of Alkanes

cites work

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Fully Automated Structure ElucidationA Spectroscopist's Dream Comes True†

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Automated detection of problem restraints in NMR data sets using the FINGAR genetic algorithm method

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https://opencitations.net/index/api/v1/references/10.1021/CI0102970

Simulation of the 13C nuclear magnetic resonance spectra of trisaccharides using multiple linear regression analysis and neural networks

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FINGAR: A new genetic algorithm-based method for fitting NMR data

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Fast determination of 13C NMR chemical shifts using artificial neural networks

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Principles of the Generation of Constitutional and Configurational Isomers

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Refinement of the NMR solution structure of the gamma-carboxyglutamic acid domain of coagulation factor IX using molecular dynamics simulation with initial Ca2+ positions determined by a genetic algorithm

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https://opencitations.net/index/api/v1/references/10.1021/CI0102970

Identifiers

DOI

10.1021/CI0102970

1 reference

20 April 2018

DBLP publication ID

journals/jcisd/MeilerW01

1 reference

DBLP Dataset 2021-01-02

28 January 2021

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20 April 2018