Predicting chemical activities from structures by attributed molecular graph classification

Qian Xu, Derek Hao Hu, Hong Xue, Qiang Yang. Predicting chemical activities from structures by attributed molecular graph classification. In Proceedings of the 2010 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, CIBCB 2010, Montreal, QC, Canada, May 2-5, 2010. pages 1-8, IEEE, 2010. [doi]

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