Molecular Graph Kernels for Drug Discovery
Craig Saunders and Anthony Demco
In: 6th IARP -TC-15 Workshop on Graphbased Representations in Pattern Recognition, June 11-13, Alicante, Spain.
We present some results on soft-matching graph kernels for the lead-hopping problem, as well as considering how one-class SVMs and subsampling of inactives perform for the computational difficult task.
|EPrint Type:||Conference or Workshop Item (Talk)|
|Project Keyword:||Project Keyword UNSPECIFIED|
|Subjects:||Theory & Algorithms|
|Deposited By:||Craig Saunders|
|Deposited On:||25 February 2008|