Abstract:
:Our goal was to create a photodegradation model based on the META expert system [G. Klopman, M. Dimayuga, J. Talafous, J. Chem. Inf. Comput. Sci. 34 (1994a) 1320-1325]. This requires the development of a dictionary of photodegradation pathways. Equipped with such a dictionary, we found that META successfully predicts degradation pathways of organic compounds under UV light. Our model was tested on a wide range of industrial compounds for which literature data exists. The results were excellent as the hit/miss ratio was better than 92%. This work complements our previous elaboration of equivalent mammal metabolism, aerobic and anaerobic biodegradation models.
journal_name
Chemospherejournal_title
Chemosphereauthors
Sedykh A,Saiakhov R,Klopman Gdoi
10.1016/s0045-6535(01)00007-8subject
Has Abstractpub_date
2001-11-01 00:00:00pages
971-81issue
6-7eissn
0045-6535issn
1879-1298pii
S0045-6535(01)00007-8journal_volume
45pub_type
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