Multidimensional scaling and visualization of large molecular similarity tables

Journal of Computational Chemistry

Volumn 22, Issue 5, 2001, Pages 488-500

  Agrafiotis, Dimitris K ^a   Rassokhin, Dmitrii N ^a   Lobanov, Victor S ^a  

^a JOHNSON AND JOHNSON   (United States)

Author keywords

Combinatorial chemistry; Conformational analysis; Data analysis; Data mining; Dimensionality reduction; Distance geometry; Feature extraction; Molecular diversity; Molecular similarity; Multidimensional scaling; Neural network; Nonlinear mapping; Pattern recognition; Sammon mapping

Indexed keywords

EID: 0035871891     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/1096-987X(20010415)22:5<488::AID-JCC1020>3.0.CO;2-4     Document Type: Article

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