Descriptors from Molecular Geometry
نویسندگان
چکیده
and his main research activities concern chemometrics in all his aspects, the study of quantitative structure–activity relationships (QSAR), molecular descriptors, multicriteria decision making, and software development. President of the Italian Chemometric Society and member of the editorial advisory boards of relevant scientific reviews, he is full Professor of Chemometrics at the Department of Environmental Sciences of the University of MilanoBicocca (Milano, Italy). He is author of more than 130 publications and international reviews and of the books: The Data Analysis Handbook, by I. E. Frank and R. Todeschini, Elsevier, 1994, and Handbook of Molecular Descriptors, by R. Todeschini and V. Consonni, Wiley–VCH, 2000.
منابع مشابه
Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies
In a previous paper the theory of the new molecular descriptors called GETAWAY (GEometry, Topology, and Atom-Weights AssemblY) was explained. These descriptors have been proposed with the aim of matching 3D-molecular geometry, atom relatedness, and chemical information. In this paper prediction ability in structure-property correlations of GETAWAY descriptors has been tested extensively by anal...
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