A web site for calculating the degree of chirality.
The web site, http://www.csm.huji.ac.il/, 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.
Zayit
Amir
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Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904, Israel.
Pinsky
Mark
M
Elgavi
Hadassah
H
Dryzun
Chaim
C
Avnir
David
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