Molecular Quantum Similarity Matrix Based Clustering of Molecules Using Dendrograms
Patrick Bultinck, Ramon Carbó‐Dorca · Journal of Chemical Information and Computer Sciences · 2002
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.