Pierre-Anthony Grenier

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Molecules being often described using a graph representation , graph kernels provide an interesting framework which allows to combine machine learning and graph theory in order to predict molecule's properties. However, some of these properties are induced both by relationships between the atoms of a molecule and by constraints on the relative positioning(More)
Chemoinformatics is a research field concerned with the study of physical or biological molecular properties through computer science's research fields such as machine learning and graph theory. From this point of view, graph kernels provide a nice framework which allows to naturally combine machine learning and graph theory techniques. Graph kernels based(More)
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