Similarity by Compression

We present a simple and effective method for similarity searching in virtual high-throughput screening, requiring only a string-based representation of the molecules (e.g., SMILES) and standard compression software, available on all modern desktop computers. This method utilizes the normalized compr...

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Bibliographische Detailangaben

Veröffentlicht in:	Journal of chemical information and modeling 2007-01, Vol.47 (1), p.25-33
Hauptverfasser:	Melville, James L, Riley, Jenna F, Hirst, Jonathan D
Format:	Artikel
Sprache:	eng
Schlagworte:	Area Under Curve Chemistry Data Compression - methods Databases, Factual Methods Molecular Structure Molecules Organic Chemicals - chemistry Software Studies
Online-Zugang:	Volltext
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