Some dimension problems in molecular databases

  title={Some dimension problems in molecular databases},
  author={Paul G. Mezey},
  journal={Journal of Mathematical Chemistry},
  • P. Mezey
  • Published 2009
  • Computer Science
  • Journal of Mathematical Chemistry
Molecular databases obtained either by combinatorial chemistry tools or by more traditional methods are usually organized according to a set of molecular properties. A database may be regarded as a multidimensional collection of points within a space spanned by the various molecular properties of interest, the property space. Some properties are likely to be more important than others, those considered important form the essential dimensions of the molecular database. How many properties are… 

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