title: Prediction of stability constants of lanthanide complexes with amino acids by model based on connectivity index 3χv.
abstract: In order to model the stability of lanthanide complexes with amino acids, we used a set of 20 mono-complexes of La(3+), Ce(3+), Pr(3+), Nd(3+) and Sm(3+) with glycine, alanine, valine and leucine. The quadratic model based on the (3)χ(v) index gave r = 0.978, S.E. = 0.08. The predictive power of the model was tested by splitting the initial set of complexes on training (N = 15) and test set (N = 5). This enabled the logarithm of the stability constant, log K(1), of the leucine complex of neodymium(III) and all four complexes of samarium(III) to be predicted with S.E. = 0.11.
authors.forename: Ante
authors.initials: A
authors.lastname: Miličević
authors.forename: Nenad
authors.initials: N
authors.lastname: Raos
mesh_terms: D000409:Alanine / Q000737:chemistry; D000596:Amino Acids / Q000737:chemistry*; D005998:Glycine / Q000737:chemistry; D028581:Lanthanoid Series Elements / Q000737:chemistry*; D007930:Leucine / Q000737:chemistry; D009354:Neodymium / Q000737:chemistry; D012493:Samarium / Q000737:chemistry; D014633:Valine / Q000737:chemistry
chemical_list: D000596:Amino Acids; D028581:Lanthanoid Series Elements; D009354:Neodymium; D012493:Samarium; D007930:Leucine; D014633:Valine; D000409:Alanine; D005998:Glycine