title: QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES.
abstract: Optimal descriptors calculated with Simplified Molecular Input Line Entry System (SMILES) notation have been used in quantitative structure-property relationships (QSPR) modeling electrochemical half-wave potential of benzoxazine derivatives by one-variable correlations.
authors.affiliation: Uzbek Academy of Sciences, Institute of Geology & Geophysics, Khodzhibaev Street 49, 700041 Tashkent, Uzbekistan. aatoropov@yahoo.com
authors.forename: Andrey
authors.initials: A
authors.lastname: Toropov
authors.forename: Karel
authors.initials: K
authors.lastname: Nesmerak
authors.forename: Ivan
authors.initials: I
authors.lastname: Raska
authors.forename: Karel
authors.initials: K
authors.lastname: Waisser
authors.forename: Karel
authors.initials: K
authors.lastname: Palat
mesh_terms: D048588:Benzoxazines / Q000737:chemistry*; D008956:Models, Chemical; D015233:Models, Statistical; D015394:Molecular Structure; D021281:Quantitative Structure-Activity Relationship; D012984:Software
chemical_list: D048588:Benzoxazines