C. D. Villemin-d, Use of a neural network to determine the boiling point of alkanes, J. Chem. Soc. Faraday Trans, vol.90, pp.97-102, 1994.

D. Brun-l, Tree covering within a graph kernel framework for shape classification, ICIAP, pp.278-287, 2009.

K. H. and T. K. Inokuchi-a, Kernels for graphs, In Kernel Methods in Computational Biology, pp.155-170, 2004.

M. P. Vert-j.-p, Graph kernels based on tree patterns for molecules, Machine Learning, pp.3-35, 2008.

N. M. Bunke-h, Bridging the gap between graph edit distance and kernel machines, 2007.

P. G. and C. B. Crémilleux-b, Discovering emerging graph patterns from chemicals, Proc. of the 18th ISMIS 2009, pp.45-55, 2009.

R. K. Bunke-h, Approximate graph edit distance computation by means of bipartite graph matching, Image and Vision Computing, vol.27, issue.7, pp.950-959, 2009.

R. D. Hahn-m, Extended-Connectivity Fingerprints, J. Chem. Inf. Model, vol.50, issue.5, pp.742-754, 2010.

S. N. Vishwanathan-s, M. H. Petri-t, and . M. Borgwardt-k, Efficient graphlet kernels for large graph comparison, Proceedings of AIStats, pp.488-495, 2009.

S. A. Kondor-r, Kernels and regularization on graphs, Learning theory and Kernel machines : 16th Annual Conference on Learning Theory and 7th Kernel Workshop, p.144, 2003.

S. F. Schölkopf-b, Kernels, regularization and differential equations, Pattern Recogn, vol.41, pp.3271-3286, 2008.

T. R. Consonni-v, Handbook of Molecular Descriptors, 2000.

V. S. Borgwardt-k, . R. Kondor-i, and . N. Schrau-dolph-n, Graph kernels, Journal of Machine Learning Research, vol.11, pp.1201-1242, 2010.