Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery
- Journal Article
Journal / seriesJournal of molecular graphics & modelling
Pages / Article No.
SubjectChemical similarity; Drug design; Embedding; Molecular descriptor; Principal component analysis; Projection; Self-organizing map
Organisational unit03852 - Schneider, Gisbert / Schneider, Gisbert
NotesReceived 14 September 2011, Revised 13 December 2011, Accepted 14 December 2011, Published online 2 January 2012.
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