31 May 2023

Deep Matters: May 2023

What's new in version 4.1 of ICSynth®?

  • Filter for reaction conditions: Users are now able to filter for reaction routes that fulfil their requirements on solvents, yields, temperatures, chemicals, and operations. 

  • Forward Reaction Prediction (FRP) updates: Users are now able to use more than one copy of molecules to enable variable stoichiometry.

  • Transform Libraries reprocessing to fix errors and improve quality of results.

  • Option to save molecules from Query form.

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How does deepmatter® give you the edge for developing novel molecules? Our data.
We have a large, proprietary, contextualised and reliable database of ways to make molecules and improve your outcomes. Could it be the solution for you? Get in touch with our team to find out! 

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Bayesian optimisation: Using AI to choose your next experiment.

When chemists want to optimize a chemical reaction or a formulation, the most common method they use is “trial and error”.

This involves trying many combinations of parameters, chosen using chemistry knowledge and intuition, until the result meets their requirements. Each experiment brings new knowledge that is useful to design the next experiments.

However, trial and error is a slow methodology that it is limited to a few parameters because the number of experiments grows exponentially with the number of parameters, often fails to yield satisfactory results, and can trap chemists in a “local optimum” from where it is difficult to improve.

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Our CEO, Mark and our CBO, Kate, will be at Future Labs Live 2023 in Basel, Switzerland this week from Wednesday 31st May - Friday 2nd June.

Info on event