Molecular quantum similarity matrix based clustering of molecules using dendrograms |
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| Authors: | Bultinck Patrick Carbó-Dorca Ramon |
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| Institution: | Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281 (S-3), B-9000 Gent, Belgium. Patrick.Bultinck@rug.ac.be |
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| Abstract: | A new scheme for general classification of quantum objects is presented. Based on molecular quantum similarity matrices (MQSM), different algorithms are presented for generating Molecular Quantum Similarity Dendrograms (MQSD). An application of MQSD is presented for a set of steroid molecules. |
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