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Tools, such as ASKCOS 8 , AiZynthFinder 9 , Synthia 10 , and IBM RXN have incorporated diverse ML techniques, including template-based approaches that apply curated reaction templates from databases 11,12,13,14,15,16,17 , template-free methods based on graph neural networks or sequence-to-sequence architectures 18,19,20,21,22,23,24,25,26,27,28,29,30,31,32 , and powerful search algorithms such as Monte Carlo Tree Search (MCTS) 8,9

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