Prediction of Molecular Packing Motifs in Organic Crystals by Neural Graph Fingerprints

Daiki Ito, Raku Shirasawa, Shinnosuke Hattori, Shigetaka Tomiya, Gouhei Tanaka. Prediction of Molecular Packing Motifs in Organic Crystals by Neural Graph Fingerprints. In Long Cheng 0001, Andrew Chi-Sing Leung, Seiichi Ozawa, editors, Neural Information Processing - 25th International Conference, ICONIP 2018, Siem Reap, Cambodia, December 13-16, 2018, Proceedings, Part V. Volume 11305 of Lecture Notes in Computer Science, pages 26-34, Springer, 2018. [doi]

Abstract

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