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Molecular Quantum Similarity in QSAR and Drug Design

  • Book
  • © 2000

Overview

Part of the book series: Lecture Notes in Chemistry (LNC, volume 73)

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Table of contents (7 chapters)

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About this book

The authors introduce the concept of Molecular Quantum Similarity, developed in their laboratory, in a didactic form. The basis of the concept combines quantum theoretical calculations with molecular structure and properties even for large molecules. They give definitions and procedures to compute similarities molecules and provide graphical tools for visualization of sets of molecules as n-dimensional point charts.

Authors and Affiliations

  • Institute of Computational Chemistry, Campus Montilivi, University of Girona, Girona, Spain

    Ramon Carbó-Dorca, David Robert, Lluís Amat, Xavier Gironés, Emili Besalú

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