By Connor Taylor on May 11, 2021
Compunetics was used as a kinetic analysis tool for the identification of rate constants in a gold nanoparticle catalysed reduction reaction using self-optimisation data.
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By Daniel Davies on December 14, 2020
The kinetics of the final synthetic step for a top 100 pharmaceutical, metoprolol, were fitted using Compunetics.
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By Alice Payne on December 07, 2020
How many days/weeks/months does it take for paracetamol to react to form an unwanted byproduct? We can find this easily using the Simulation Toolbox in Compunetics.
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By Connor Taylor on November 15, 2020
Compunetics was used as a kinetic analysis tool for the identification of observed rate constants in electrochemical synthesis, in a recent publication.
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By Connor Taylor on November 13, 2020
Using the Simulation Toolbox in Compunetics, any organic chemist can easily figure out why they are only achieving a 70 % yield in their paracetamol manufacture.
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By Connor Taylor on September 13, 2020
A multistep synthesis of a pharmaceutical building block is to be ran. Using the Compunetics Simulator and Investigator toolboxes, machine learning can be combined with reaction simulation to effortlessly optimise this reaction in silico for the highest yield of the desired product.
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By Connor Taylor on August 15, 2020
The new Compunetics Investigator provides an optimisation toolbox for bench scientists to allow them to easily optimise their chemical process.
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By Thomas Dent on August 01, 2020
The kinetics of a Buchwald-Hartwig amination reaction were analysed to compare various caesium and potassium bases in early-stage process development.
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By Jamie Manson on July 21, 2020
A one-step transformation of a steroid derivative must be optimised in silico. Total process understanding is easily achieved by utilising the Compunetics Simulation Toolbox.
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By Connor Taylor on July 05, 2020
A two-step telescoped synthesis of a pharmaceutical building block is to be ran. Reaction simulation in Compunetics describes when all of the initial starting material will be consumed, without the need for analytical techniques.
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By Connor Taylor on June 16, 2020
Two catalysts were identified during process development for a Suzuki-Miyaura reaction. Kinetic fitting in Compunetics was utilised to quantify their reaction rates, hence determining the optimum catalyst for this transformation.
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