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Self-organizing molecular field analysis on alpha(1a)-adrenoceptor dihydropyridine antagonists
1.Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, China.
Bioorganic & Medicinal Chemistry
|August 21, 2003
Abstract:
Self-organizing molecular field analysis (SOMFA), a new three-dimensional quantitative structure-activity relationship (3-D-QSAR) method is used to study the correlation between the molecular properties and the alpha(1a)-AR biological activities of dihydropyridine derivatives. The statistical result, cross-validated q(2) (0.690) and non cross-validated r(2) (0.704) values, show a good predictive ability.