Title : Evaluation of a novel electronic eigenvalue (EEVA) molecular descriptor for QSAR/QSPR studies: validation using a benchmark steroid data set.

Pub. Date : 2002 May-Jun

PMID : 12086522






3 Functional Relationships(s)
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Compound Name
Protein Name
Organism
1 Its performance was tested with respect to the CBG (corticosteroid binding globulin) affinity of 31 benchmark steroids. Steroids serpin family A member 6 Homo sapiens
2 Its performance was tested with respect to the CBG (corticosteroid binding globulin) affinity of 31 benchmark steroids. Steroids serpin family A member 6 Homo sapiens
3 It appeared that the electronic structure of the steroids, i.e., the "spectra" derived from molecular orbital energies, is directly related to the CBG binding affinities. Steroids serpin family A member 6 Homo sapiens