2 papers
q-bio.QM2008
Virtual screening of GPCRs: an in silico chemogenomics approach
Laurent Jacob, Brice Hoffmann, Véronique Stoven +1
The G-protein coupled receptor (GPCR) superfamily is currently the largest class of therapeutic targets. \textit{In silico} prediction of interactions between GPCRs and small molec…
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…