Classification of metal ions according to their complexing properties: a data-driven approach Original Research Article

Factor, cluster and self-organizing map analyses were performed for the stability constants of complexes of 24 metal ions and hydrogen with 3960 ligands (15606 values of log K1). Five factors reproduce 89% of data variability. Both direct clusterization and clusterization on the basis of factor analysis established the existence of six different classes of similar cations. The similarity series for metal ions and relative similarity of several ions are discussed and the Kohonen two-dimensional map, which visually represents the similarity, is presented.