A subgraph isomorphism algorithm and its application to biochemical data, BMC Bioinformatics, vol.14, issue.Suppl 7, p.13, 2013. ,
DOI : 10.1093/nar/gkq973
URL : http://doi.org/10.1186/1471-2105-14-s7-s13
COMPOUND ANALYSIS VIA GRAPH KERNELS INCORPORATING CHIRALITY, Journal of Bioinformatics and Computational Biology, vol.08, issue.supp01, pp.63-81, 2010. ,
DOI : 10.1142/S0219720010005117
Two new graphs kernels in chemoinformatics, Pattern Recognition Letters, vol.33, issue.15, pp.2038-2047, 2012. ,
DOI : 10.1016/j.patrec.2012.03.020
Incorporating stereo information within the graph kernel framework, 2013. ,
URL : https://hal.archives-ouvertes.fr/hal-00809066
Treelet Kernel Incorporating Chiral Information, Graph-Based Representations in Pattern Recognition, pp.132-141, 2013. ,
DOI : 10.1007/978-3-642-38221-5_14
URL : https://hal.archives-ouvertes.fr/hal-00824172
Graph kernels based on tree patterns for molecules, Machine Learning, pp.3-35, 2008. ,
DOI : 10.1007/s10994-008-5086-2
Chirality in metric spaces. Symmetry, Culture and Science, vol.21, pp.27-36, 2010. ,
Stereochemically unique naming algorithm, Journal of the American Chemical Society, vol.96, issue.15, pp.4834-4842, 1974. ,
DOI : 10.1021/ja00822a021
Matrix model to predict specific optical rotations of acyclic chiral molecules, Tetrahedron, vol.63, issue.10, pp.632292-2314, 2007. ,
DOI : 10.1016/j.tet.2006.12.061