13 citations · 26 across the 5 of their papers we have counts for
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q-bio.QM2006★ 11 cited
Graph kernels based on tree patterns for molecules
Pierre Mahé, Jean-Philippe Vert
Motivated by chemical applications, we revisit and extend a family of positive definite kernels for graphs based on the detection of common subtrees, initially proposed by Ramon et…
q-bio.QM2006
The pharmacophore kernel for virtual screening with support vector machines
Pierre Mahé, Liva Ralaivola, Véronique Stoven +1
We introduce a family of positive definite kernels specifically optimized for the manipulation of 3D structures of molecules with kernel methods. The kernels are based on the compa…