Perspectives in QSAR: computer chemistry and pattern recognition.
Computer chemistry allows a detailed description of properties for a wide range of molecular environments. In these respects it offers substantial benefits to the QSAR (Quantitative Structure Activity Relationship) analyst. Problems associated with the resulting wide data matrices are, it is proposed, amenable to solution through multivariate 'pattern recognition' techniques.
Hyde
R M
RM
Department of Physical Sciences, Wellcome Research Laboratories, Beckenham, Kent, U.K.
Livingstone
D J
DJ
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003198:Computer Simulation; D015394:Molecular Structure; D013329:Structure-Activity Relationship