论文信息 - Molecular quantum similarity measures and N‐dimensional representation of quantum objects. II. Practical applications

Molecular quantum similarity measures and N‐dimensional representation of quantum objects. II. Practical applications

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.

R. Carbó | R. Carbó | B. Calabuig | B. Calabuig

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