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Quantum Molecular Similarity. 3. QTMS Descriptors

โœ Scribed by O'Brien, S.E.; Popelier, P.L.A.


Book ID
120948398
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
299 KB
Volume
41
Category
Article
ISSN
0095-2338

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Communications on quantum similarity, pa
โœ Ramon Carbรณ-Dorca; Emili Besalรบ; Luz Dary Mercado ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 298 KB

## Abstract This work describes a new procedure to obtain optimal molecular superposition based on quantum similarity (QS): the geometricโ€quantum similarity molecular superposition (GQSMS) algorithm. It has been inspired by the QS Aufbau principle, already described in a previous work, to build up