Systematic performance evaluation of gasoline molecules based on quantitative structure-property relationship models
نویسندگان
چکیده
منابع مشابه
Evaluation in Quantitative Structure-Property Relationship Models of Structural Descriptors Derived from Information-Theory Operators
During the search for new structural descriptors we have defined the information-theory operators U(M), V(M), X(M), and Y(M), that are computed from atomic invariants and measure the information content of the elements of molecular matrices. Structural descriptors computed with these four information-theory operators are used to develop structure-property models for the boiling temperature, mol...
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ژورنال
عنوان ژورنال: Chemical Engineering Science
سال: 2021
ISSN: 0009-2509
DOI: 10.1016/j.ces.2020.116077