Molecular descriptors and quasi-distribution functions
نویسندگان
چکیده
منابع مشابه
Distribution-Based Descriptors of the Molecular Shape
A rational design of economically cost-effective chemical libraries as well as successful data mining during a process of drug discovery employs a vast array of the molecular descriptors. Despite the huge importance of this area of the research there is still a need for the further development of the simple, intuitive, easily calculable, specific and size-invariant parameters of the molecular s...
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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 ...
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ژورنال
عنوان ژورنال: Computers & Mathematics with Applications
سال: 2015
ISSN: 0898-1221
DOI: 10.1016/j.camwa.2015.06.037