Search results
A vectorized Dijkstra search on this subnetwork to identify the top (diversified) k lowest cost routes using a cost function based on the number of reactions in the routes and the cost of building blocks. The search is based on the well-known algorithm published by Edsger Dijkstra.
These tools enable information to be sourced for route selection: ranging from searching for existing synthesis routes to an API; information and physical data on existing intermediate compounds; reagents and transformations; patents and even designing novel synthetic routes to a given target molecule.
The initial rates method determines the rate at the very start of the reaction when t = 0. The initial rate can be found by: Drawing a concentration-time graph. Adding a tangent at t = 0. Calculating the gradient of the tangent.
22 maj 2024 · The goal is to obtain the minimum total annual cost (TAC). Taking Fujian Province of China as an example, the feasibility of the method is verified, and the calculation results show that the total transportation cost of the method is reduced by 9.2%.
A methodology for chemical routes development and evaluation on the basis of data-mining is presented. A section of the Reaxys database was converted into a network, which was used to plan hypothetical synthesis routes to convert a bio-waste feedstock, limonene, to a bulk intermediate, benzoic acid.
DoE is a class of statistical methods that aim to build a model that can mathematically describe the output of a chemical reaction (such as reaction yield, purity etc.) based on the experimental inputs for that reaction (factors such as temperature or reaction time).
14 wrz 2023 · Calculate the rates of reactions for the product curve (B) at 10 and 40 seconds and show that the rate slows as the reaction proceeds. Answer Tangents to the product curve at 10 and 40 seconds. The red curve represents the tangent at 10 seconds and the dark green curve represents it at 40 seconds.
