Three Dimensional Molecular Structure-Biological Activity Correlation by Pattern Recognition

A molecular structure transform has been developed that allows the three-dimensional structure of molecules to be related to their biological activity. The transforms utilize principal component analysis to transform the three dimensional cartesian coordinates and any atomic information such as elec...

Ausführliche Beschreibung

Bibliographische Detailangaben

Hauptverfasser:	Dierdorf,D. S, Kowalski,B. R
Format:	Report
Sprache:	eng
Schlagworte:	Atomic and Molecular Physics and Spectroscopy Biochemistry Biology Carcinogens Chemical reactions Molecular structure Pattern recognition Three dimensional Transformations
Online-Zugang:	Volltext bestellen
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