Retrosynthesis aims to efficiently plan the synthesis of desirable chemicals by strategically breaking down molecules into readily available building block compounds. Having a long …
C Shi, Y Hu, S Wang, S Ma, C Zheng, X Ma… - Proceedings of the 2023 …, 2023 - dl.acm.org
Multi-step retrosynthetic route planning (MRRP) is the core task in synthetic chemistry, in which chemists recursively deconstruct a target molecule to find a set of reactants that make …
Q Wang, R Sheng, S Ruan, X Jin, C Shi… - arXiv preprint arXiv …, 2024 - arxiv.org
Designing synthetic routes for novel molecules is pivotal in various fields like medicine and chemistry. In this process, researchers need to explore a set of synthetic reactions to …
Z Cui, S Zhang, S Zhang, B Chen, Y Zhu… - Chinese Journal of …, 2022 - Elsevier
Biomanufacturing, which uses renewable resources as raw materials and uses biological processes to produce energy and chemicals, has long been regarded as a production …
Multi-stage, stochastic multi-criteria decision making (MSMDM) is common in various domains of human activity, such as scientific research and combinatorial games. These …
R Siedentop, C Claaßen, D Rother, S Lütz… - 2021 - publications.rwth-aachen.de
In vitro enzyme cascades possess great benefits, such as their synthetic capabilities for complex molecules, no need for intermediate isolation, and the shift of unfavorable equilibria …