Spectral similarity versus structural similarity: Infrared spectroscopy

Analytica Chimica Acta

Volumn 490, Issue 1-2, 2003, Pages 313-324

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

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Interpretative power; IR spectra; Spectral library search; Substructure descriptors; Tanimoto index

Indexed keywords

DATABASE SYSTEMS; INFRARED SPECTROSCOPY;

QUERY COMPOUNDS;

STRUCTURE (COMPOSITION);

CALCULATION; CHEMICAL STRUCTURE; CONFERENCE PAPER; CORRELATION COEFFICIENT; DATA BASE; NEAR INFRARED SPECTROSCOPY; PRIORITY JOURNAL; RADIATION ABSORPTION; SPECTRUM; STRUCTURE ANALYSIS;

EID: 0142039075     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0003-2670(03)00668-8     Document Type: Conference Paper

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