conftrace_

molecule synthesis

3 papers

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Co-occurring keywords · papers mentioning both

retrosynthetic planning (2) synthesis planning (1) route quality (1) trajectory imitation (1) reaction pathway (1) self-improving training (1) forward reaction model (1) chemical space (1) chemical reaction prediction (1) search algorithm (1)

Papers

Active Retrosynthetic Planning Aware of Route Quality ICLR 2024 Self-Improved Retrosynthetic Planning ICML 2021 Barking up the right tree: an approach to search over molecule synthesis DAGs NeurIPS 2020