Spectral similarity versus structural similarity: Mass spectrometry

Analytica Chimica Acta

Volumn 516, Issue 1-2, 2004, Pages 75-85

  Demuth, W ^a   Karlovits, M ^a   Varmuza, K ^a  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Interpretative power; Mass spectra; Spectral library search; Spectral similarity; Substructure descriptors; Tanimoto index

Indexed keywords

DATABASE SYSTEMS; INFORMATION DISSEMINATION; STRUCTURE (COMPOSITION);

QUERY COMPOUNDS; SEARCH METHODS;

MASS SPECTROMETRY;

ANALYTIC METHOD; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; COMPARATIVE STUDY; CORRELATION COEFFICIENT; MASS SPECTROMETRY; PRIORITY JOURNAL;

EID: 3042521543     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.aca.2004.04.014     Document Type: Article

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