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QSPR modelling of normal boiling points and octanol/water partition coefficient for acyclic and cyclic hydrocarbons using SMILES-based optimal descriptors
Authors:A.A. Toropov  A.P. Toropova  E. Benfenati
Affiliation:(1) Istituto di Ricerche Farmacologiche Mario Negri, Via La Masa 19, 20156 Milano, Italy;(2) Department of Electronics and Information, Politecnico di Milano, piazza Leonardo da Vinci 32, 20133 Milano, Italy;(3) Interdisciplinary Nanotoxicity Center, Department of Civil and Environmental Engineering, Jackson State University, 1325 Lynch St., Jackson, MS 39217-0510, USA;(4) Interdisciplinary Nanotoxicity Center, Department of Chemistry and Biochemistry, Jackson State University, 1400 J. R. Lynch Street, P.O. Box 17910, Jackson, MS 39217, USA;
Abstract:
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