Graph kernels for molecular structure-activity relationship analysis with support vector machines
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Recommended citation: P. Mahé, N. Ueda, T. Akutsu, J.-L. Perret, & J.-P. Vert. Graph kernels for molecular structure-activity relationship analysis with support vector machines. J. Chem. Inf. Model., 45(4):939–51, 2005. https://doi.org/10.1021/ci050039t