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Molecular Fingerprinting using Localization-Delocalization Matrices: Computational Aspects

  • Chérif F. Matta,
  • Paul W. Ayers,
  • Ronald Cook

摘要

Ismat Sumar of Saint Mary’s University, one of whom this book is dedicated, pioneered the first software implementation of an algorithm to automate the localization-delocalization matrices (LDMs) analysis of a series of molecules.