GRAPH WAVELET ALIGNMENT KERNELS FOR DRUG VIRTUAL SCREENING
نویسندگان
چکیده
منابع مشابه
Graph Wavelet Alignment Kernels for Drug Virtual Screening
In this paper we introduce a novel graph classification algorithm and demonstrate its efficacy in drug design. In our method, we use graphs to model chemical structures and apply a wavelet analysis of graphs to create features capturing graph local topology. We design a novel graph kernel function to utilize the created feature to build predictive models for chemicals. We call the new graph ker...
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ژورنال
عنوان ژورنال: Journal of Bioinformatics and Computational Biology
سال: 2009
ISSN: 0219-7200,1757-6334
DOI: 10.1142/s0219720009004187