DEEP MATTERS

NEWSLETTER JULY 2022

Welcome to the July edition of Deep Matters
This issue includes a new blog on SPRESI, improving chemistry databases using machine learning.
We also have a paper from Deepmatter collaborating with The University of Cambridge and StructurePendium Technologies GMBH discussing reaction identification complexities and solutions across large data sets Additionally, we will showcase together news from around the group.

Improving Chemistry Databases Using Machine Learning

A picture tells a thousand words, but that picture can be hard to come by when we’re talking about large datasets of chemical reactions. DeepMatter own SPRESI, the world’s third largest chemistry reaction database with 4.5 million entries. This hand-curated dataset has been created over the span of 30 years and constitutes chemistry from the past 100 years. It also forms the backbone of our industry leading retrosynthesis tool, ICSynth, which is used worldwide in small-molecule drug discovery. To read more, click here.

For a free demonstration of ICSynth click the button below:

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LATEST NEWS

Analysing a billion reactions with the RInChI 

At DeepMatter we are proud to contribute to the  InChI project as the standard for textual representation of chemical structures  The Reaction InChI, a unique key for chemical reactions is extending the utility of this standard into reaction space;  this analysis of large reaction databases clearly demonstrates its value in the evaluation of  ever larger chemical collections. To read more, click here.

ACS FALL 2022

Deepmatter will be attending ACS FALL 2022 on 21st - 26th August in Chicago, U.S.
We are looking forward to meeting you in person at this event.

ACHEMA 2022

Deepmatter will be attending ACHEMA 2022 on 22nd - 26th August in Frankfurt, Germany.
We are looking forward to meeting you in person at this event.

Many thanks for reading Deep Matters. For more information on DigitalGlassware® or ICSYNTH please visit our website by clicking on the button below

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