CHEN, Yujie; MA, Tengfei; LIU, Yuansheng; WEI, Leyi; WU, Shu; CAO, Dongsheng; LIU, Yiping; ZENG, Xiangxiang. TRACE: Transformation-Aware Graph Refinement for Reaction Condition Prediction. Proceedings of the AAAI Conference on Artificial Intelligence, [S. l.], v. 40, n. 1, p. 119–127, 2026. DOI: 10.1609/aaai.v40i1.36971. Disponível em: https://ojs.aaai.org/index.php/AAAI/article/view/36971. Acesso em: 26 may. 2026.