Literature DB >> 19927375

A web site for calculating the degree of chirality.

Amir Zayit1, Mark Pinsky, Hadassah Elgavi, Chaim Dryzun, David Avnir.   

Abstract

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.
Copyright © 2009 Wiley-Liss, Inc.

Year:  2011        PMID: 19927375     DOI: 10.1002/chir.20807

Source DB:  PubMed          Journal:  Chirality        ISSN: 0899-0042            Impact factor:   2.437


  4 in total

Review 1.  Quantitative Structure-Selectivity Relationships in Enantioselective Catalysis: Past, Present, and Future.

Authors:  Andrew F Zahrt; Soumitra V Athavale; Scott E Denmark
Journal:  Chem Rev       Date:  2019-12-30       Impact factor: 60.622

2.  High handaxe symmetry at the beginning of the European Acheulian: The data from la Noira (France) in context.

Authors:  Radu Iovita; Inbal Tuvi-Arad; Marie-Hélène Moncel; Jackie Despriée; Pierre Voinchet; Jean-Jacques Bahain
Journal:  PLoS One       Date:  2017-05-17       Impact factor: 3.240

3.  Solid-State Nonlinear Optical Properties of Mononuclear Copper(II) Complexes with Chiral Tridentate and Tetradentate Schiff Base Ligands.

Authors:  Luca Rigamonti; Alessandra Forni; Elena Cariati; Gianluca Malavasi; Alessandro Pasini
Journal:  Materials (Basel)       Date:  2019-11-01       Impact factor: 3.623

4.  SCRAMBLE'N'GAMBLE: a tool for fast and facile generation of random data for statistical evaluation of QSAR models.

Authors:  Piotr F J Lipiński; Przemysław Szurmak
Journal:  Chem Zvesti       Date:  2017-06-05       Impact factor: 2.097

  4 in total

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