Predictive modelling of peroxisome proliferator-activated receptor gamma (PPARγ) IC50 inhibition by emerging pollutants using light gradient boosting machine
SAR and QSAR in environmental research,
Journal Year:
2025,
Volume and Issue:
unknown, P. 1 - 23
Published: March 24, 2025
Peroxisome
proliferator-activated
receptor
gamma
(PPARγ),
a
critical
nuclear
receptor,
plays
pivotal
role
in
regulating
metabolic
and
inflammatory
processes.
However,
various
environmental
contaminants
can
disrupt
PPARγ
function,
leading
to
adverse
health
effects.
This
study
introduces
novel
approach
predict
the
inhibitory
activity
(IC50
values)
of
140
chemical
compounds
across
13
categories,
including
pesticides,
organochlorines,
dioxins,
detergents,
flame
retardants,
preservatives,
on
PPARγ.
The
predictive
model,
based
light-gradient
boosting
machine
(LightGBM)
algorithm,
was
trained
dataset
1804
molecules
showed
r2
values
0.82
0.59,
Mean
Absolute
Error
(MAE)
0.38
0.58,
Root
Square
(RMSE)
0.54
0.76
for
training
test
sets,
respectively.
provides
insights
into
interactions
between
emerging
PPARγ,
highlighting
potential
hazards
risks
these
chemicals
may
pose
public
environment.
ability
inhibition
by
hazardous
demonstrates
value
this
guiding
enhanced
toxicology
research
risk
assessment.
Language: Английский
Research on Regional Carbon Emission Prediction Method Based on GRA-PCA-Transformer
Environmental science and engineering,
Journal Year:
2025,
Volume and Issue:
unknown, P. 45 - 55
Published: Jan. 1, 2025
Language: Английский
A hybrid model for point and interval forecasting of agricultural price based on the decomposition-ensemble and KDE
Soft Computing,
Journal Year:
2024,
Volume and Issue:
28(17-18), P. 10153 - 10176
Published: July 18, 2024
Language: Английский
Dual ensemble system for polyp segmentation with submodels adaptive selection ensemble
Cun Xu,
No information about this author
Kefeng Fan,
No information about this author
Wei Mo
No information about this author
et al.
Scientific Reports,
Journal Year:
2024,
Volume and Issue:
14(1)
Published: March 14, 2024
Abstract
Colonoscopy
is
one
of
the
main
methods
to
detect
colon
polyps,
and
its
detection
widely
used
prevent
diagnose
cancer.
With
rapid
development
computer
vision,
deep
learning-based
semantic
segmentation
for
polyps
have
been
researched.
However,
accuracy
stability
some
in
polyp
tasks
show
potential
further
improvement.
In
addition,
issue
selecting
appropriate
sub-models
ensemble
learning
task
still
needs
be
explored.
order
solve
above
problems,
we
first
implement
utilization
multi-complementary
high-level
features
through
Multi-Head
Control
Ensemble.
Then,
sub-model
selection
problem
training,
propose
SDBH-PSO
Ensemble
optimization
weights
different
datasets.
The
experiments
were
conducted
on
public
datasets
CVC-ClinicDB,
Kvasir,
CVC-ColonDB,
ETIS-LaribPolypDB
PolypGen.
results
that
DET-Former,
constructed
based
Ensemble,
consistently
provides
improved
across
Among
them,
demonstrated
superior
feature
fusion
capability
experiments,
excellent
capability.
capabilities
will
continue
significant
reference
value
practical
utility
as
networks
evolve.
Language: Английский
A combined framework for carbon emissions prediction integrating online search attention
Journal of Intelligent & Fuzzy Systems,
Journal Year:
2024,
Volume and Issue:
46(4), P. 11153 - 11168
Published: March 15, 2024
As
CO2
emissions
continue
to
rise,
the
problem
of
global
warming
is
becoming
increasingly
serious.
It
important
provide
a
robust
management
decision-making
basis
for
reductions
carbon
worldwide
by
predicting
accurately.
However,
affected
various
factors,
prediction
challenging
due
its
nonlinear
and
nonstationary
characteristics.
Thus,
we
propose
combination
forecast
model,
named
CEEMDAN-GWO-SVR,
which
incorporates
multiple
features
predict
trends
in
China’s
emissions.
First,
impact
online
search
attention
public
health
emergencies
are
considered
prediction.
Since
different
variables
on
lagged,
grey
relational
degree
used
identify
appropriate
lag
series.
Second,
irrelevant
eliminated
through
RFECV.
To
address
issue
feature
redundancy
attention,
dimensionality
reduction
method
based
keyword
classification.
Finally,
evaluate
proposed
framework,
four
evaluation
indicators
tested
machine
learning
models.
The
best-performed
model
(SVR)
optimized
CEEMDAN
GWO
enhance
accuracy.
empirical
results
indicate
that
framework
maintains
good
performance
both
multi-scenario
multi-step
Language: Английский
Data-Driven Approaches for Achieving Carbon Neutrality: Predictive Models for Reducing CO2 Emissions and Enhancing Industrial Sustainability
Published: Jan. 1, 2024
In
response
to
the
escalating
challenges
posed
by
climate
change
and
industrial
inefficiency,
this
thesis
presents
a
comprehensive
investigation
aimed
at
advancing
predictive
modeling
of
global
CO2
emissions
enhancing
operational
efficiency
in
steel
manufacturing
through
Electric
Arc
Furnace
(EAF)
temperature
optimization.
Leveraging
rich
dataset
sourced
from
World
Development
Indicators
database
alongside
meticulously
curated
specific
EAF
operations,
our
study
applies
an
innovative
blend
econometric
machine
learning
techniques,
including
Pooled
Ordinary
Least
Squares
(Pooled
OLS),
Random
Effects
(RE),
Fixed
(FE),
Seasonal
Autoregressive
Integrated
Moving
Average
with
Exogenous
Variables
(SARIMAX)
models.
The
objective
is
twofold:
refine
emission
forecasts
establish
reliable
model
for
predicting
flat
bath
production,
critical
determinant
energy
product
quality.
Our
analysis
elucidates
complex
dynamics
governing
emissions,
identifying
key
factors
such
as
renewable
consumption,
GDP
per
unit
use,
total
greenhouse
gas
significant
determinants.
These
insights
not
only
contribute
academic
discourse
on
environmental
sustainability
but
also
provide
solid
foundation
policymakers
devise
more
effective
strategies
reduction.
Concurrently,
realm
manufacturing,
breaks
new
ground
harnessing
data
predict
unprecedented
accuracy.
This
advancement
holds
implications
conservation
optimization,
addressing
urgent
need
practices.
bridges
gap
between
theoretical
research
practical
application
sets
benchmark
utilization
data-driven
approaches
science
engineering.
By
offering
detailed
comparison
techniques
their
prowess,
it
guides
future
directions
underscores
potential
sophisticated
analytical
methods
tackling
some
most
pressing
challenges.
Ultimately,
role
achieving
sustainable
future,
providing
valuable
that
can
inform
both
policy
process
Language: Английский
A drift-aware dynamic ensemble model with two-stage member selection for carbon price forecasting
Energy,
Journal Year:
2024,
Volume and Issue:
313, P. 133699 - 133699
Published: Nov. 2, 2024
Language: Английский
Research on quarterly carbon emission prediction in China based Caputo fractional derivative grey Riccati model and Least squares support vector regression
Yue Sun,
No information about this author
Yonghong Zhang
No information about this author
Research Square (Research Square),
Journal Year:
2023,
Volume and Issue:
unknown
Published: Oct. 19, 2023
Abstract
Accurately
predicting
carbon
emissions
is
a
crucial
scientific
foundation
for
the
monitoring
and
evaluation
of
country's
progress
in
achieving
its
intended
reduction
goals.
Given
constraints
small
sample
size,
nonlinearity,
complexity
inherent
quarterly
data
on
at
industrial
level,
this
paper
introduces
Caputo
fractional
derivative
into
grey
Riccati
model,
establishing
model
with
memory
characteristics.
The
numerical
solution
acquired
through
Adams-Bashforth-Moulton
predictor-corrector
algorithm,
model's
parameters
optimized
using
Wolf
optimization
algorithm.
Subsequently,
integrated
EEMD
decomposition
algorithm
least
square
support
vector
regression
to
construct
decomposition-integration
emission
decomposition.
Finally,
proposed
validated
from
six
industries
China
as
an
illustrative
example.
results
convincingly
demonstrate
that
prediction
effectively
analyzes
developmental
trajectory
China.
Moreover,
it
exhibits
superior
stability
accuracy
both
fitting
forecasting
when
compared
other
single
models.
Language: Английский
Enhancing Quarterly Carbon Emission Forecasting in China:A small sample decomposition model based Caputo fractional derivative grey Riccati model and LSSVR
Yue Sun,
No information about this author
Yonghong Zhang
No information about this author
Research Square (Research Square),
Journal Year:
2023,
Volume and Issue:
unknown
Published: Nov. 15, 2023
Abstract
Accurately
predicting
carbon
emissions
is
a
crucial
scientific
foundation
for
the
monitoring
and
evaluation
of
country's
progress
in
achieving
its
intended
reduction
goals.
Given
constraints
small
sample
size,
nonlinearity,
complexity
inherent
quarterly
data
on
at
industrial
level,
this
paper
introduces
Caputo
fractional
derivative
into
grey
Riccati
model,
establishing
model
with
memory
characteristics.
The
numerical
solution
acquired
through
Adams-Bashforth-Moulton
predictor-corrector
algorithm,
model's
parameters
optimized
using
Wolf
optimization
algorithm.
Subsequently,
integrated
EEMD
decomposition
algorithm
least
square
support
vector
regression
to
construct
decomposition-integration
emission
decomposition.
Finally,
proposed
decomposition-integrationmodel
validated
from
six
industries
China
as
an
illustrative
example.
results
convincingly
demonstrate
that
prediction
effectively
analyzes
developmental
trajectory
China.
Moreover,
it
exhibits
superior
stability
accuracy
both
fitting
forecasting
when
compared
other
single
models.
Language: Английский