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"Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network."
Wengong Jin et al. (2017)
- Wengong Jin, Connor W. Coley, Regina Barzilay, Tommi S. Jaakkola:
Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network. NIPS 2017: 2607-2616
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