Blog - The Cambridge Crystallographic Data Centre (CCDC)

Why do aromatic interactions matter?

Ioana Sovago – Fri, 03 Sep 2021 16:27:00 GMT

In our 2020.1 CSD Release, we launched the Aromatics Analyser – our first feature in Mercury based on a Neural Network that leverages deep learning. The tool allows you to quantitatively assess aromatic ring interactions and their likely contribution to the stability of a crystal structure. In this blog, let’s explore why it’s so important to understand aromatic interactions using ibuprofen and benzoic acids as examples.

Aromatics analyser: your questions answered

Ioana Sovago – Tue, 16 Jun 2020 10:28:00 GMT

The Aromatics Analyser is a new feature available in Mercury as part of the CSD-Materials and CSD-Enterprise suites. It was launched with our last release 2020.1 in April. Our users have been asking questions during our virtual events, as the What’s Up customer webinar, and we decided to share with you some of the most common questions.

New for 2020.1 release - aromatics analyser in Mercury

Ioana Sovago – Wed, 29 Apr 2020 08:19:00 GMT

We live in exciting times for Artificial Intelligence (AI) - with the rise of new and easy to implement Machine Learning (ML) algorithms. Many of us would sooner trust a GPS to take us from point A to point B than consult a map ourselves, and robots are already being used to perform medical procedures. But what do all of these advanced techniques and algorithms mean for us as scientists and how can we use them to advance science? Presumably, many would ask if AI approaches can help, or even replace scientific experiments?

Blog Aromatics Analyser

Why do aromatic interactions matter?

Aromatics analyser: your questions answered

New for 2020.1 release - aromatics analyser in Mercury

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