Affordable Access

Publisher Website

Exhaustive set of non-isomorphic sub-graphs and its application to chemical structure elucidation using a IR spectroscopy database

Authors
Publisher
Elsevier B.V.
Publication Date
Volume
409
Identifiers
DOI: 10.1016/s0003-2670(99)00846-6
Keywords
  • Immunoassay

Abstract

Abstract An IR database containing spectra, molecular graphs and exhaustive sets of k-node ( k = 2 ÷ 7) structure fragments used for structure elucidation of ‘unknown’ by its IR spectrum. The type of recognizable fragments, correct and false fragments ratio and the method of most probable structure construction are discussed.

There are no comments yet on this publication. Be the first to share your thoughts.