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- W2953338963 abstract "An algorithm for determining the external rotational symmetry number of a molecule from a SMILES1 string has been developed. ESCHER operates by first locating the center or centers of graphical symmetry for the molecule and the equivalence classes of atoms connected to the center or centers. The center(s) of graphical symmetry is the atom(s) which is(are) most symmetrical with respect to the connections to other atoms. These are then used to calculate the symmetry number, σ." @default.
- W2953338963 created "2019-06-27" @default.
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- W2953338963 date "2010-08-04" @default.
- W2953338963 modified "2023-09-23" @default.
- W2953338963 title "ChemInform Abstract: ESCHER - A Computer Program for the Determination of External Rotational Symmetry Numbers from Molecular Topology." @default.
- W2953338963 cites W1974136124 @default.
- W2953338963 doi "https://doi.org/10.1002/chin.199704263" @default.
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