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EC number: 201-052-9
CAS number: 77-73-6
The use of a QSAR to predict the
biodegradability of the substance is an appropriate technique as these
substances clearly fall within the applicability domain of the model,
with all substructures included in the model. The results indicate that
the substance has a half life of 21.4435 days.
The use of QSAR estimates to predict the
biodegradability of hydrocarbons because they are included in the
training sets of the BIOWIN and BioHC models.The databases were created
using experimental biodegradation data for compounds found in crude oil
and its products, with biodegradation references obtained for each of
these compounds, mainly from the BIOLOG and DATALOG files of EFDB,
TOXLINE and American Chemical Society Chemical Abstracts as well as
literature searches. For the BioHC model, a single recommended
biodegradation half-life was chosen for use in the regression analysis
from the primary biodegradation data that were compiled for each
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