Environment International,
Journal Year:
2025,
Volume and Issue:
unknown, P. 109427 - 109427
Published: March 1, 2025
Wastewater-based
epidemiology
(WBE)
represents
a
powerful
technique
for
quantifying
the
attenuation
characteristics
and
consumption
of
pharmaceuticals.
In
addition
to
WBE,
no
further
methods
have
been
developed
assess
wastewater
stability
related
antidepressants
(ADs).
this
study,
biodegradability,
solubility,
adsorption
or
partition
66
ADs
were
objectively
scored
according
relevant
guidelines
Organisation
Economic
Cooperation
Development.
An
assessment
framework
MSSL-RealFormer
classification
model
constructed
based
on
physicochemical
properties
predict
quantitative
structure-activity
relationship.
The
exhibited
markedly
higher
prediction
accuracy
than
traditional
methods.
Furthermore,
15
high-stable
in
with
low
high
identified.
SHapley
Additive
exPlanation
method
demonstrated
that
group
hydrophobicity,
electrostatic
van
der
Waals
forces
exerted
significant
influence
stability.
And
molecular
was
found
be
significantly
correlated
A
combination
density
functional
theory
employed
identify
17
transformation
products
nine
medium-
low-stable
wastewater.
Ecological
Structure
Activity
Relationships
bupropion,
tapentadol
chlorpheniramine
acute
toxicity
aquatic
food
chain.
novel
deep
learning
rapidly
screen
correlation
between
their
structures.
It
is
anticipated
prove
favorable
tool
optimizing
screening
