Lhasa Limited releases Zeneth 8: A faster, more intuitive degradation prediction system
Date: 14 October 2020
Lhasa’s expert decision support software for predicting the forced degradation pathways of organic compounds, Zeneth 8, represents a rewrite of the Zeneth 7 software. Zeneth 8 makes use of newer technology that allows users to benefit from a new chemistry engine and an updated reasoning engine among other new updates and features.
The new chemistry engine available in Zeneth 8 incorporates a post transformation structure checker to correct poorly formatted structures. The new chemistry engine also allows for additional and more specific degradation predictions through the inclusion of:
- Enhanced stereochemical functionality
- Three-component reactions
- Improved treatment of aromaticity
In addition to features that improve predictive performance, Zeneth 8 also benefits from the following new features:
- A redesigned user interface that provides an improved user experience and increased processing speed.
- A list of condition triggers associated with each of the transformations in the knowledge base.
- Spider diagram export which allows users to export only degradants of interest, instead of exporting the entire tree.
- A more refined score which also makes use of new property predictors for pKa and bond dissociation energy (BDE).
Existing Zeneth sponsors can find out more about new features in Zeneth 8 by visiting the 'What’s new' page.
Zeneth uses a knowledge base to find matching transformations and then assess the likelihood for a prediction.. The new version of Zeneth groups transformations, making it easier to filter and navigate particular transformations. Lhasa Limited Senior Scientist, Ash Ali, and Sales Executive, Alex Vrijheid, will present on this and other new features ofZeneth 8 in a webinar on the 26th November.
In addition to software developments, the knowledge base in Zeneth has also been updated. There are now 531 total reactions grouped as follows:
- Oxidations – 154
- Hydrolyses – 124
- Condensations/additions – 112
- Eliminations/fragmentations – 64
- Isomerisations/rearrangements – 34
- Photochemical reactions – 43
The 2020 knowledge base also features an updated list of excipients. There are now 201 l compounds which include:
- Excipients (including 25 polymers and 8 salts) - 83
- Counterions - 88
- Contaminants – 30
Lhasa Limited is a not-for-profit and educational charity that creates state-of-the-art in silico prediction and database systems. Lhasa’s technology is uniquely designed by scientists, for scientists and is developed in collaboration with industry stakeholders and regulators. Lhasa has been an advocate for collaborative data sharing for over 35 years and specialises in the development of expert computer systems for toxicity, degradation and metabolism prediction.
New Zeneth is available now. Contact the Sales Team for a free trial or to find out more.
With increased processing speed, extensive degradation knowledge and improved user experience, Lhasa Limited is pleased to announce that Zeneth 8 has now been released.