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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 t...

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Bibliografische gegevens
Hoofdauteurs: Smalter, Aaron, Huan, Jun, Lushington, Gerald
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2009
Onderwerpen:
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2730413/
https://ncbi.nlm.nih.gov/pubmed/19507286
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