Automated compound verification using 2D-NMR HSQC data in an open-access environment

Magnetic Resonance in Chemistry

Volumn 47, Issue 1, 2009, Pages 38-52

  Keyes, Philip ^a   Hernandez, Gonzalo ^a   Cianchetta, Giovanni ^a   Robinson, James ^a   Lefebvre, Brent ^b  

^a LEXICON PHARMACEUTICALS INC   (United States)

^b Computational Chemistry ^*  (Canada)

Author keywords

13C NMR; 1H NMR; Auto verification; Automated assignment; Compound registration; HSQC; NMR; Open access; Prediction; Validation

Indexed keywords

AUTOMATION; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY;

13C NMR; 1H NMR; AUTO VERIFICATIONS; AUTOMATED ASSIGNMENTS; COMPOUND REGISTRATION; HETERONUCLEAR SINGLE-QUANTUM COHERENCES; NMR DATA; OPENACCESS; REGISTRATION SYSTEMS; VALIDATION;

VERIFICATION;

EID: 58149267749     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2347     Document Type: Article

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