A web site for calculating the degree of chirality

Amir Zayit, Mark Pinsky, Hadassah Elgavi, Chaim Dryzun, David Avnir*

*Corresponding author for this work

Research output: Contribution to journalReview articlepeer-review

40 Scopus citations

Abstract

The web site, uses the Continuous Chirality Measure to evaluate quantitatively the degree of chirality of a molecule, a structure, a fragment. The value of this measure ranges from zero, the molecule is achiral, to higher values (the upper limit is 100); the higher the chirality value, the more chiral the molecule is. The measure is based on the distance between the chiral molecule and the nearest structure that is achiral. Questions such as the following can be addressed: by how much is one molecule more chiral than the other? how does chirality change along conformational motions? is there a correlation between chirality and enantioselectivity in a series of molecules? Both elementary and advanced features are offered. Related calculation options are the symmetry measures and shape measures.

Original languageAmerican English
Pages (from-to)17-23
Number of pages7
JournalChirality
Volume23
Issue number1
DOIs
StatePublished - Jan 2011

Keywords

  • CCM
  • CSM
  • S symmetry
  • asymmetry
  • chirality
  • internet
  • inversion symmetry
  • mirror symmetry
  • web site

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