Beyond descriptor vectors: QSAR modelling using structural similarity
نویسندگان
چکیده
منابع مشابه
Beyond descriptor vectors: QSAR modelling using structural similarity
Kernel based machine learning methods like support vector machines or gaussian processes have gained increasing attention for QSAR modelling in recent years. One of the most interesting aspects of this method is the analogy between the kernel and a similarity measure. Each similarity measure that fulfils the kernel properties can be used as a kernel. But despite the possibility to incorporate s...
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ژورنال
عنوان ژورنال: Chemistry Central Journal
سال: 2008
ISSN: 1752-153X
DOI: 10.1186/1752-153x-2-s1-s3