Machine Learning-Based Screening of Plant-Derived Saponins and Their Derivatives for Lipase Inhibitory Activity Using R-Group Contribution Values
Published: Jan. 1, 2025
Language: Английский
Targeted conversion of cellulose and hemicellulose macromolecules in the phosphoric acid/acetone/water system: An exploration of machine learning evaluation and product prediction
Yuhang Sun,
No information about this author
Qiong Wang,
No information about this author
Zhitong Yao
No information about this author
et al.
International Journal of Biological Macromolecules,
Journal Year:
2025,
Volume and Issue:
unknown, P. 141912 - 141912
Published: March 1, 2025
Language: Английский
Machine Learning-Assisted Prediction and Exploration of the Homogeneous Oxidation of Mercury in Coal Combustion Flue Gas
Weijin Zhang,
No information about this author
Jiefeng Chen,
No information about this author
Guohai Huang
No information about this author
et al.
Environmental Science & Technology,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 12, 2025
Mercury
emission
from
coal
combustion
flue
gas
is
a
significant
environmental
concern
due
to
its
detrimental
effects
on
ecosystems
and
human
health.
Elemental
mercury
(Hg0)
the
dominant
species
in
hard
immobilize.
Therefore,
it
necessary
comprehend
reaction
mechanisms
of
Hg0
oxidation,
namely,
oxidized
(Hg2+),
for
immobilization.
In
spite
extensive
research
homogeneous
universal
accurate
prediction
models
unified
explanations
are
lacking.
this
study,
first
time,
quantitative
were
developed
oxidation
percentage
with
machine
learning
(ML)
using
compositions
operating
conditions
as
inputs.
Gradient
boosting
regression
showed
optimal
performance
(test
R2
≥
0.85).
ML-aided
feature
analysis
results
exhibited
that
Cl2,
HCl,
Hg0,
temperature,
HBr
top
five
critical
factors
affecting
oxidation.
Halogen
promoted
at
temperatures
around
250
°C,
while
SO2,
quench
rates
not
conducive
High
rate
coefficients
Hg/Cl
Hg/Br
reactions
verified
ML
interpretive
revealed
major
mechanisms.
Models
here
may
play
important
roles
understanding
optimizing
Hg
immobilization
technologies.
Language: Английский
Machine Learning-Assisted Multi-Property Prediction and Sintering Mechanism Exploration of Mullite–Corundum Ceramics
Materials,
Journal Year:
2025,
Volume and Issue:
18(6), P. 1384 - 1384
Published: March 20, 2025
Mullite–corundum
ceramics
are
pivotal
in
heat
transfer
pipelines
and
thermal
energy
storage
systems
due
to
their
excellent
mechanical
properties,
stability,
chemical
resistance.
Establishing
relationships
mechanisms
through
traditional
experiments
is
time-consuming
labor-intensive.
In
this
study,
gradient
boosting
regression
(GBR),
random
forest
(RF),
artificial
neural
network
(ANN)
models
were
developed
predict
essential
properties
such
as
apparent
porosity,
bulk
density,
water
absorption,
flexural
strength
of
mullite–corundum
ceramics.
The
GBR
model
(R2
0.91–0.95)
outperformed
the
RF
ANN
0.83–0.89
0.88–0.91,
respectively)
accuracy.
Feature
importance
partial
dependence
analyses
revealed
that
sintering
temperature
K2O
(~0.25%)
positively
affected
density
while
negatively
influencing
porosity
absorption.
Additionally,
temperature,
additives,
Fe2O3
(optimal
content
~5%
1%,
related
strength.
This
approach
provided
new
insight
into
between
feedstock
compositions
process
parameters
ceramic
it
explored
possible
involved.
Language: Английский
A Review on Machine Learning-Aided Hydrothermal Liquefaction Based on Bibliometric Analysis
Lili Qian,
No information about this author
Xu Zhang,
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Xianguang Ma
No information about this author
et al.
Energies,
Journal Year:
2024,
Volume and Issue:
17(21), P. 5254 - 5254
Published: Oct. 22, 2024
Hydrothermal
liquefaction
(HTL)
is
an
effective
biomass
thermochemical
conversion
technology
that
can
convert
organic
waste
into
energy
products.
However,
the
HTL
process
influenced
by
various
complex
factors
such
as
operating
conditions,
feedstock
properties,
and
reaction
pathways.
Machine
learning
(ML)
methods
utilize
existing
data
to
develop
accurate
models
for
predicting
product
yields
which
be
used
optimize
operation
conditions.
This
paper
presents
a
bibliometric
review
on
ML
applications
in
from
2020
2024.
CiteSpace,
VOSviewer,
Bibexcel
were
analyze
seven
key
attributes:
annual
publication
output,
author
co-authorship
networks,
country
co-citation
of
references,
journals,
collaborating
institutions,
keyword
co-occurrence
well
time
zone
maps
timelines,
identify
development
research.
Through
detailed
analysis
co-occurring
keywords,
this
study
aims
frontiers,
research
gaps,
trends
field
ML-aided
HTL.
Language: Английский