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Critical Reviews in Analytical Chemistry

Volume 36, Issue 3-4, 2006

Abstract

This paper reviews literature from the past 5 years in the field of molecular chemometrics, which applies modeling and data analysis to molecular data. It discusses advances and standing challenges in the fields of molecular representation, similarity and diversity analysis, quantitative structure-activity and structure-property relationship modeling, and library searching.

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Details

  • Citation information:
  • Available online: 12 Jan 2007

Taylor & Francis

Author affiliations

  • a Institute for Molecules and Materials, Radboud University Nijmegen, Toernooiveld 1, Nijmegen, The Netherlands

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