Oct 8, 2023 · This paper proposes a novel approach for retrosynthetic route planning based on evolutionary optimization, marking the first use of Evolutionary Algorithm (EA)
Jul 15, 2024 · This paper proposes a novel approach for retrosynthetic route planning based on evolutionary optimization, marking the first use of Evolutionary Algorithm (EA)
Aug 2, 2024 · It enables rapid determination of potential pathways and starting materials for the synthesis of target compounds, effectively providing ...
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Jul 12, 2024 · The proposed method involves modeling the retrosynthetic problem into an optimization problem, defining the search space and operators.
... retrosynthetic route planning based on evolutionary optimization, marking the first use of Evolutionary Algorithm (EA) in the field of multi-step retrosynthesis ...
The proposed method involves modeling the retrosynthetic problem into an optimization problem, defining the search space and operators. Additionally, to improve ...
Jun 10, 2023 · Here we propose an experience-guided Monte Carlo tree search (EG-MCTS) to deal with this problem. Instead of rollout, we build an experience guidance network.
Evolutionary Retrosynthetic Route Planning. This paper has been accept by IEEE Computational Intelligence Magazine. To learn more, see the EvoRRP paper.
Jul 15, 2024 · The proposed method involves modeling the retrosynthetic problem into an optimization problem, defining the search space and operators.
Retrosynthetic planning is a sequential decision-making process of identifying synthetic routes from the available building block materials to reach a ...