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Molecular quantum similarity measures and N ‐dimensional representation of quantum objects. II. Practical applications
Author(s) -
Carbó R.,
Calabuig B.
Publication year - 1992
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560420608
Subject(s) - representation (politics) , similarity (geometry) , quantum , taxonomy (biology) , conformational isomerism , computer science , theoretical computer science , physics , artificial intelligence , molecule , quantum mechanics , biology , ecology , politics , political science , law , image (mathematics)
Newly developed classification and graphical representation techniques are discussed in order to visualize quantum similarity computational results. Some examples of molecular quantum similarity applications involving the fields of (a) structure–property relationships, (b) structure–activity relationships, (c) MO taxonomy, and (d) conformer taxonomy are presented.