Visualization of Molecular Fingerprints

Owen, John R.; Nabney, Ian T.; Medina-Franco, José L.; López-Vallejo, Fabian;
  • Publisher: Figshare
  • Related identifiers: doi: 10.1021/ci1004042.s001, doi: 10.1021/ci1004042.s002
  • Subject: nonlinear projection map | GTM | Bernoulli noise model | LTM visualization space | data sets | Cancer | PCA | Molecular FingerprintsA visualization plot
    • FOR: 80699 Information Systems not elsewhere classified | 19999 Mathematical Sciences not elsewhere classified | 39999 Chemical Sciences not elsewhere classified

A visualization plot of a data set of molecular data is a useful tool for gaining insight into a set of molecules. In chemoinformatics, most visualization plots are of molecular descriptors, and the statistical model most often used to produce a visualization is princip... View more
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