About QSAR and the Descriptors of Chemical Structure

Many descriptors that can be used for metals are generally common to chemical structnres— for example, molar refractivity, electronegativity, and so on. Other descriptors are specific for metals or metal ions, depending on their electronic con-figniation and their position in the periodic table. 

Areview of Ihepaiameters found in the literature to correlate with metal toxicity shows the use of atomic parameters such as atomic radii and the ionization energies the use of basic chanical properties such as the valence the electrochemical character and thermodynamic measnres that describe the electrochemical reactions of the metals the theory of hard and soft adds and bases and properties of the metal compounds, for example, the solubility of metal compounds or other particularities of the metal compounds (a review is fonnd in Walker et aL, 2(X)3). To better understand such descriptors, some important characteristics of metals are discussed in this and the following chapter. In addition to the descriptors relevant for the free metal ions, the array of structural desaiptors is greatly enlarged by the use of the descriptors for organometallic ccxnplexes (Chapter 4). 

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