A note on the paper entitled "JEDA: joint entropy diversity analysis. An information-theoretic method for choosing diverse and representative subsets from combinatorial libraries" [Melissa R. Landon, Scott E. Schaus, Molecular Diversity (2006) 10 333-339].
Recently, Landon and Schaus [1] published a very interesting article providing an algorithm that allows the selection of a representative subset taken form a molecular library. The aim of this note is to argue that some aspects discussed in the article remain unclear despite it having passed a review process. That is because the manuscript check was not complete and, possibly, it was published prematurely. There are several concepts that are not well defined or explained in the text. This note will attempt to focus on some of those points, transmitting them to the reader with the hope that a door is being opened to a more complete discussion and understanding of the article. At the same time, this is a good opportunity to recall the relevance of this new and promising method.
Besalú
E
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Institute of Computational Chemistry, University of Girona, 17071 Girona, Catalonia, Spain. emili@iqc.udg.es
D000465:Algorithms; D002626:Chemistry, Pharmaceutical / Q000379:methods*; D020650:Combinatorial Chemistry Techniques; D019277:Entropy; D019151:Peptide Library
D019151:Peptide Library