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Flexible molecular superposition: development of a combined similarity index and application of the constrained optimization technique

Authors :
Whanchul Shin
Dong Gweon Oh
Chong Hak Chae
Source :
Journal of Computational Chemistry. 22:888-900
Publication Year :
2001
Publisher :
Wiley, 2001.

Subjects

Subjects :
Computational Mathematics
Superposition principle
Mathematical optimization
Development (topology)
Index (economics)
Similarity (network science)
Constrained optimization
General Chemistry
Algorithm
Mathematics

Details

ISSN :
1096987X and 01928651
Volume :
22
Database :
OpenAIRE
Journal :
Journal of Computational Chemistry
Accession number :
edsair.doi...........a5f9db338703e8c5b79928717524a398

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