Publications
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- Publisher:ACS Publications
- Publication Date:Jul 2013
- Reference:Molecular Pharmaceutics, 2013, 10(8), pp 2962-2974
- DOI:10.1021/mp400083h
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- Publication Type:Paper
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An Expert System To Predict the Forced Degradation of Organic Molecules
Zeneth is a new expert system for the prediction of forced degradation pathways of organic compounds. Intermolecular reactions such as dimerisation, reactions between the query compound and its degradants, as well as interactions with excipients can be predicted. The program employs a knowledge base of patterns and reasoning rules to suggest the most likely transformations under various conditions. Building the knowledge base is facilitated by data sharing between the users.
