TRACE: Transformation-Aware Graph Refinement for Reaction Condition Prediction

Yujie Chen 0002, Tengfei Ma 0002, Yuansheng Liu, Leyi Wei, Shu Wu, Dongsheng Cao 0001, Yiping Liu, Xiangxiang Zeng. TRACE: Transformation-Aware Graph Refinement for Reaction Condition Prediction. In Sven Koenig, Chad Jenkins, Matthew E. Taylor, editors, Fortieth AAAI Conference on Artificial Intelligence, Thirty-Eighth Conference on Innovative Applications of Artificial Intelligence, Sixteenth Symposium on Educational Advances in Artificial Intelligence, AAAI 2026, Singapore, January 20-27, 2026. pages 119-127, AAAI Press, 2026. [doi]

Abstract

Abstract is missing.