Article ID Journal Published Year Pages File Type
5383057 Chemical Physics Letters 2012 5 Pages PDF
Abstract
► QSPR model for half-wave potentials is suggested. ► SMILES is used as representation of the molecular structure. ► Mechanistic interpretations of the model are discussed.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
SMILES-based QSPR model for half-wave potentials of 1-phenyl-5-benzyl-sulfanyltetrazoles using CORAL
Authors
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