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On computing the molecular detour matrix

✍ Scribed by N. Trinajstić; S. Nikolić; Z. Mihalić

Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
190 KB
Volume
65
Category
Article
ISSN
0020-7608

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✦ Synopsis

A method for computing the molecular detour matrix is proposed.

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We solve the problem of minimizing the distance from a given matrix to the set of symmetric and diagonally dominant matrices. First, we characterize the projection onto the cone of diagonally dominant matrices with positive diagonal, and then we apply Dykstra's alternating projection algorithm on th