Eller GA "Improving the quality of published chemical names with nomenclature software" Molecules 11(11): November 2006

[Eugene Garfield]

E-mail Addresses: gernot.eller at univie.ac.at 
________________________________________________________________________

FULL TEXT AVAILABLE AT : http://www.mdpi.org/molecules/papers/11110915.pdf
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Title: Improving the quality of published chemical names with nomenclature 
software 

Author(s): Eller GA (Eller, Gernot A.) 

Source: MOLECULES 11 (11): NOV 2006 

Document Type: Article 
Language: English 
Cited References: 46      Times Cited: 0  
      
Abstract: This work deals with the use of organic systematic nomenclature 
in scientific literature, its quality, and computerized methods for its 
improvement. Criteria for classification of systematic names in terms of 
quality/correctness are discussed and applied to a sample set of several 
hundred names extracted from the literature. The same structures are named 
with three popular state-of-the-art nomenclature programs - AutoNom 2000, 
ChemDraw 10.0, and ACD/Name 9.0. When comparing the results, all 
nomenclature tools show a significantly better performance than 'average 
chemists'. One program allows the generation not only of IUPAC names but 
also of CAS-like index names that are compared with the officially 
registered names. The scope and limitations of nomenclature software are 
discussed and a comparison of the programs' actual capabilities is given. 

Addresses: Eller GA (reprint author), Univ Vienna, Fac Life Sci, Dept Drug 
Synth, Althanstr 14, A-1090 Vienna, Austria
Univ Vienna, Fac Life Sci, Dept Drug Synth, A-1090 Vienna, Austria

E-mail Addresses: gernot.eller at univie.ac.at 

Publisher: MOLECULAR DIVERSITY PRESERVATION INTERNATIONAL, MATTHAEUSSTRASSE 
11, CH-4057 BASEL, SWITZERLAND 
Subject Category: Chemistry, Organic 
IDS Number: 118VN 

ISSN: 1420-3049 

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