Mining High-Throughput Screening Data of Combinatorial Libraries:  Development of a Filter to Distinguish Hits from Nonhits

Kohonen neural networks generate projections of large data sets defined in high-dimensional space. The resulting self-organizing maps can be used in many applications in the drug discovery process, such as to analyze combinatorial libraries for their similarity or diversity and to select descriptors...

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Veröffentlicht in:	Journal of Chemical Information and Computer Sciences 2004-03, Vol.44 (2), p.626-634
Hauptverfasser:	Teckentrup, Andreas, Briem, Hans, Gasteiger, Johann
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical compounds Data mining Pharmacology
Online-Zugang:	Volltext
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