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. 1988 Jul;2(2):145-55.
doi: 10.1007/BF01532089.

Perspectives in QSAR: computer chemistry and pattern recognition

R M Hyde  1 , D J Livingstone
Affiliations

Perspectives in QSAR: computer chemistry and pattern recognition

R M Hyde et al. J Comput Aided Mol Des. 1988 Jul.

Abstract

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.

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