13C NMR assignments of the bases in oligodeoxynucleotides

An automated procedure using bayesian statistics

Timothy J. Hyman, Eilis Boudreau, Gilles G. Martin, Béat M. Jucker, Philip N. Borer, George C. Levy

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

A statistical method, Bayes Maximum Likelihood, has been applied to the classification of base 13C NMR resonances in DNA oligomers. An accuracy of 100% for carbon class discrimination was achieved for a preliminary training set of four oligomers using the following four parameters: (1) the chemical shift; (2) the temperature at which the spectrum was obtained; (3) the difference in chemical shift from the C5 resonances; and (4) a sequence factor representing the neighboring nucleotides. Classification of a fifth oligomer, previously assigned and not contained in the original training set, gave reasonable carbon class assignments.

Original languageEnglish (US)
Pages (from-to)226-230
Number of pages5
JournalJournal of Chemical Information and Computer Science
Volume28
Issue number4
StatePublished - 1988
Externally publishedYes

Fingerprint

Bayesian statistics
Oligodeoxyribonucleotides
Oligomers
Nuclear magnetic resonance
Statistics
Chemical shift
Carbon
statistical method
discrimination
Nucleotides
Maximum likelihood
Statistical methods
DNA
Temperature

ASJC Scopus subject areas

  • Chemistry(all)
  • Computational Theory and Mathematics
  • Computer Science Applications
  • Information Systems

Cite this

13C NMR assignments of the bases in oligodeoxynucleotides : An automated procedure using bayesian statistics. / Hyman, Timothy J.; Boudreau, Eilis; Martin, Gilles G.; Jucker, Béat M.; Borer, Philip N.; Levy, George C.

In: Journal of Chemical Information and Computer Science, Vol. 28, No. 4, 1988, p. 226-230.

Research output: Contribution to journalArticle

Hyman, Timothy J. ; Boudreau, Eilis ; Martin, Gilles G. ; Jucker, Béat M. ; Borer, Philip N. ; Levy, George C. / 13C NMR assignments of the bases in oligodeoxynucleotides : An automated procedure using bayesian statistics. In: Journal of Chemical Information and Computer Science. 1988 ; Vol. 28, No. 4. pp. 226-230.
@article{aa20c48647cb4960a0231ba08703c7cc,
title = "13C NMR assignments of the bases in oligodeoxynucleotides: An automated procedure using bayesian statistics",
abstract = "A statistical method, Bayes Maximum Likelihood, has been applied to the classification of base 13C NMR resonances in DNA oligomers. An accuracy of 100{\%} for carbon class discrimination was achieved for a preliminary training set of four oligomers using the following four parameters: (1) the chemical shift; (2) the temperature at which the spectrum was obtained; (3) the difference in chemical shift from the C5 resonances; and (4) a sequence factor representing the neighboring nucleotides. Classification of a fifth oligomer, previously assigned and not contained in the original training set, gave reasonable carbon class assignments.",
author = "Hyman, {Timothy J.} and Eilis Boudreau and Martin, {Gilles G.} and Jucker, {B{\'e}at M.} and Borer, {Philip N.} and Levy, {George C.}",
year = "1988",
language = "English (US)",
volume = "28",
pages = "226--230",
journal = "Journal of Chemical Information and Modeling",
issn = "1549-9596",
publisher = "American Chemical Society",
number = "4",

}

TY - JOUR

T1 - 13C NMR assignments of the bases in oligodeoxynucleotides

T2 - An automated procedure using bayesian statistics

AU - Hyman, Timothy J.

AU - Boudreau, Eilis

AU - Martin, Gilles G.

AU - Jucker, Béat M.

AU - Borer, Philip N.

AU - Levy, George C.

PY - 1988

Y1 - 1988

N2 - A statistical method, Bayes Maximum Likelihood, has been applied to the classification of base 13C NMR resonances in DNA oligomers. An accuracy of 100% for carbon class discrimination was achieved for a preliminary training set of four oligomers using the following four parameters: (1) the chemical shift; (2) the temperature at which the spectrum was obtained; (3) the difference in chemical shift from the C5 resonances; and (4) a sequence factor representing the neighboring nucleotides. Classification of a fifth oligomer, previously assigned and not contained in the original training set, gave reasonable carbon class assignments.

AB - A statistical method, Bayes Maximum Likelihood, has been applied to the classification of base 13C NMR resonances in DNA oligomers. An accuracy of 100% for carbon class discrimination was achieved for a preliminary training set of four oligomers using the following four parameters: (1) the chemical shift; (2) the temperature at which the spectrum was obtained; (3) the difference in chemical shift from the C5 resonances; and (4) a sequence factor representing the neighboring nucleotides. Classification of a fifth oligomer, previously assigned and not contained in the original training set, gave reasonable carbon class assignments.

UR - http://www.scopus.com/inward/record.url?scp=0024120998&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0024120998&partnerID=8YFLogxK

M3 - Article

VL - 28

SP - 226

EP - 230

JO - Journal of Chemical Information and Modeling

JF - Journal of Chemical Information and Modeling

SN - 1549-9596

IS - 4

ER -