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QSAR models for ACE-inhibitor activity of tri-peptides based on representation of the molecular structure by graph of atomic orbitals and SMILES

Alla P. ToropovaIstituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156, Milan, ItalyAndrey A. ToropovIstituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156, Milan, ItalyBakhtiyor RasulevDepartment of Chemistry and Biochemistry, Interdisciplinary Nanotoxicity Center, Jackson State University, 1400 J. R. Lynch Street, P.O. Box 17910, Jackson, MS, 39217, USAEmilio BenfenatiIstituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156, Milan, ItalyGiuseppina GiniDepartment of Electronics and Information, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133, Milan, ItalyDanuta LeszczyńskaDepartment of Civil and Environmental Engineering, Interdisciplinary Nanotoxicity Center, Jackson State University, 1325 Lynch Street, Jackson, MS, 39217-0510, USAJerzy LeszczyńskiDepartment of Chemistry and Biochemistry, Interdisciplinary Nanotoxicity Center, Jackson State University, 1400 J. R. Lynch Street, P.O. Box 17910, Jackson, MS, 39217, USA
2012en
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