| Autor: |
Parenty AD; Lhasa Limited , 22-23 Blenheim Terrace, Woodhouse Lane, Leeds, LS2 9HD, United Kingdom., Button WG, Ott MA |
| Jazyk: |
angličtina |
| Zdroj: |
Molecular pharmaceutics [Mol Pharm] 2013 Aug 05; Vol. 10 (8), pp. 2962-74. Date of Electronic Publication: 2013 Jul 18. |
| DOI: |
10.1021/mp400083h |
| Abstrakt: |
In this paper we describe Zeneth, a new expert computational system for the prediction of forced degradation pathways of organic compounds. Intermolecular reactions such as dimerization, 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 environmental conditions relevant to the pharmaceutical industry. Building the knowledge base is facilitated by data sharing between the users. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
|
