Molecular field topology analysis and structure generation
نویسندگان
چکیده
منابع مشابه
Molecular field topology analysis and structure generation
Molecular Field Topology Analysis (MFTA) [1] is a QSAR approach based on the local (atomic) descriptors. First, a so-called molecular supergraph is constructed which is a simple graph such that the molecular graphs of all training set structures can be represented as its subgraphs. A uniform descriptor set for the statistical analysis is obtained by superimposing each training set structure ont...
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ژورنال
عنوان ژورنال: Chemistry Central Journal
سال: 2008
ISSN: 1752-153X
DOI: 10.1186/1752-153x-2-s1-p8