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Increased Efficiency in Knowledge Base Building for Degradation

pdf fileOtt MA; Hemingway R; Ali MA;

Presented by Principal Scientist Martin Ott at the 2019 Science of Stability Conference.

Zeneth 8, a software system for the prediction of degradation of chemicals, is now based on a new technology platform.  It allows for faster knowledge base development as well as more accurate predictions of degradants.  The complete transformation knowledge base has been converted to this new platform.  The increased functionality of the new technology and its benefits are illustrated using cyclisation transformations as an example.  Going forward, it will be relatively easy to incorporate new developments such as property calculators; a pKa predictor is already included and a bond dissocation energy (BDE) predictor is in preparation.


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