A decomposition-based chemical reaction optimization for multi-objective vehicle routing problem for simultaneous delivery and pickup with time windows
Sign Up to like & getrecommendations! Published in 2018 at "Memetic Computing"
DOI: 10.1007/s12293-016-0222-1
Abstract: A practical variant of the vehicle routing problem (VRP), with simultaneous delivery and pickup and time windows (VRPSDPTW) is a challenging combinatorial optimization problem that has five optimization objectives in transportation and distribution logistics. Chemical… read more here.
Keywords: multi objective; optimization; reaction optimization; chemical reaction ... See more keywords
A Brief Introduction to Chemical Reaction Optimization
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DOI: 10.1021/acs.chemrev.2c00798
Abstract: From the start of a synthetic chemist’s training, experiments are conducted based on recipes from textbooks and manuscripts that achieve clean reaction outcomes, allowing the scientist to develop practical skills and some chemical intuition. This… read more here.
Keywords: reaction; chemical reaction; brief introduction; reaction optimization ... See more keywords
AROPS: A Framework of Automated Reaction Optimization with Parallelized Scheduling
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c01168
Abstract: With the development of automated experimental platforms and optimization algorithms, chemists can easily optimize chemical reactions in an automated and high-throughput fashion. However, the modules in existing automated experimental platforms are operated in a linear… read more here.
Keywords: optimization parallelized; framework automated; automated reaction; optimization ... See more keywords
Cu-Catalyzed Hydroboration of Benzylidenecyclopropanes: Reaction Optimization, (Hetero)Aryl Scope, and Origins of Pathway Selectivity.
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DOI: 10.1021/acscatal.9b03557
Abstract: The copper-catalyzed hydroboration of benzylidenecyclopropanes, conveniently accessed in one step from readily available benzaldehydes, is reported. Under otherwise identical reaction conditions, two distinct phosphine ligands grant access to different products by either suppressing or promoting… read more here.
Keywords: reaction optimization; catalyzed hydroboration; hydroboration benzylidenecyclopropanes; benzylidenecyclopropanes reaction ... See more keywords
A Multi-Objective Active Learning Platform and Web App for Reaction Optimization.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c08592
Abstract: We report the development of an open-source experimental design via Bayesian optimization platform for multi-objective reaction optimization. Using high-throughput experimentation (HTE) and virtual screening data sets containing high-dimensional continuous and discrete variables, we optimized the… read more here.
Keywords: platform; multi objective; web; optimization ... See more keywords