Wengong Jin, Connor W. Coley, Regina Barzilay, Tommi S. Jaakkola. Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network. In Isabelle Guyon, Ulrike von Luxburg, Samy Bengio, Hanna M. Wallach, Rob Fergus, S. V. N. Vishwanathan, Roman Garnett, editors, Advances in Neural Information Processing Systems 30: Annual Conference on Neural Information Processing Systems 2017, 4-9 December 2017, Long Beach, CA, USA. pages 2604-2613, 2017. [doi]
Abstract is missing.