International Journal of Molecular Sciences,
Journal Year:
2022,
Volume and Issue:
23(22), P. 13919 - 13919
Published: Nov. 11, 2022
Some
of
the
recent
studies
on
drug
sensitivity
prediction
have
applied
graph
neural
networks
to
leverage
prior
knowledge
structure
or
gene
network,
and
other
focused
interpretability
model
delineate
mechanism
governing
response.
However,
it
is
crucial
make
a
that
both
knowledge-guided
interpretable,
so
accuracy
improved
practical
use
can
be
enhanced.
We
propose
an
interpretable
called
DRPreter
(drug
response
predictor
interpreter)
predicts
anticancer
learns
cell
line
information
with
networks;
cell-line
further
divided
into
multiple
subgraphs
domain
biological
pathways.
A
type-aware
transformer
in
helps
detect
relationships
between
pathways
drug,
highlighting
important
are
involved
Extensive
experiments
GDSC
(Genomics
Drug
Sensitivity
Cancer)
dataset
demonstrate
proposed
method
outperforms
state-of-the-art
graph-based
models
for
prediction.
In
addition,
detected
putative
key
genes
specific
drug–cell-line
pairs
supporting
evidence
literature,
implying
our
help
interpret
action
drug.
Scientific Data,
Journal Year:
2023,
Volume and Issue:
10(1)
Published: Feb. 2, 2023
Abstract
Developing
personalized
diagnostic
strategies
and
targeted
treatments
requires
a
deep
understanding
of
disease
biology
the
ability
to
dissect
relationship
between
molecular
genetic
factors
their
phenotypic
consequences.
However,
such
knowledge
is
fragmented
across
publications,
non-standardized
repositories,
evolving
ontologies
describing
various
scales
biological
organization
genotypes
clinical
phenotypes.
Here,
we
present
PrimeKG,
multimodal
graph
for
precision
medicine
analyses.
PrimeKG
integrates
20
high-quality
resources
describe
17,080
diseases
with
4,050,249
relationships
representing
ten
major
scales,
including
disease-associated
protein
perturbations,
processes
pathways,
anatomical
entire
range
approved
drugs
therapeutic
action,
considerably
expanding
previous
efforts
in
disease-rooted
graphs.
contains
an
abundance
‘indications’,
‘contradictions’,
‘off-label
use’
drug-disease
edges
that
lack
other
graphs
can
support
AI
analyses
how
affect
networks.
We
supplement
PrimeKG’s
structure
language
descriptions
guidelines
enable
provide
instructions
continual
updates
as
new
data
become
available.
Aging Clinical and Experimental Research,
Journal Year:
2023,
Volume and Issue:
35(11), P. 2363 - 2397
Published: Sept. 8, 2023
Abstract
The
increasing
access
to
health
data
worldwide
is
driving
a
resurgence
in
machine
learning
research,
including
data-hungry
deep
algorithms.
More
computationally
efficient
algorithms
now
offer
unique
opportunities
enhance
diagnosis,
risk
stratification,
and
individualised
approaches
patient
management.
Such
are
particularly
relevant
for
the
management
of
older
patients,
group
that
characterised
by
complex
multimorbidity
patterns
significant
interindividual
variability
homeostatic
capacity,
organ
function,
response
treatment.
Clinical
tools
utilise
determine
optimal
choice
treatment
slowly
gaining
necessary
approval
from
governing
bodies
being
implemented
into
healthcare,
with
implications
virtually
all
medical
disciplines
during
next
phase
digital
medicine.
Beyond
obtaining
regulatory
approval,
crucial
element
implementing
these
trust
support
people
use
them.
In
this
context,
an
increased
understanding
clinicians
artificial
intelligence
provides
appreciation
possible
benefits,
risks,
uncertainties,
improves
chances
successful
adoption.
This
review
broad
taxonomy
algorithms,
followed
more
detailed
description
each
algorithm
class,
their
purpose
capabilities,
examples
applications,
geriatric
Additional
focus
given
on
clinical
challenges
involved
relying
devices
reduced
interpretability
progress
made
counteracting
latter
via
development
explainable
learning.
Nature Medicine,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Sept. 25, 2024
Drug
repurposing-identifying
new
therapeutic
uses
for
approved
drugs-is
often
a
serendipitous
and
opportunistic
endeavour
to
expand
the
use
of
drugs
diseases.
The
clinical
utility
drug-repurposing
artificial
intelligence
(AI)
models
remains
limited
because
these
focus
narrowly
on
diseases
which
some
already
exist.
Here
we
introduce
TxGNN,
graph
foundation
model
zero-shot
drug
repurposing,
identifying
candidates
even
with
treatment
options
or
no
existing
drugs.
Trained
medical
knowledge
graph,
TxGNN
neural
network
metric
learning
module
rank
as
potential
indications
contraindications
17,080
When
benchmarked
against
8
methods,
improves
prediction
accuracy
by
49.2%
35.1%
under
stringent
evaluation.
To
facilitate
interpretation,
TxGNN's
Explainer
offers
transparent
insights
into
multi-hop
paths
that
form
predictive
rationales.
Human
evaluation
showed
predictions
explanations
perform
encouragingly
multiple
axes
performance
beyond
accuracy.
Many
align
well
off-label
prescriptions
clinicians
previously
made
in
large
healthcare
system.
are
accurate,
consistent
use,
can
be
investigated
human
experts
through
interpretable
Frontiers in Artificial Intelligence,
Journal Year:
2024,
Volume and Issue:
7
Published: July 25, 2024
Cancer
research
encompasses
data
across
various
scales,
modalities,
and
resolutions,
from
screening
diagnostic
imaging
to
digitized
histopathology
slides
types
of
molecular
clinical
records.
The
integration
these
diverse
for
personalized
cancer
care
predictive
modeling
holds
the
promise
enhancing
accuracy
reliability
screening,
diagnosis,
treatment.
Traditional
analytical
methods,
which
often
focus
on
isolated
or
unimodal
information,
fall
short
capturing
complex
heterogeneous
nature
data.
advent
deep
neural
networks
has
spurred
development
sophisticated
multimodal
fusion
techniques
capable
extracting
synthesizing
information
disparate
sources.
Among
these,
Graph
Neural
Networks
(GNNs)
Transformers
have
emerged
as
powerful
tools
learning,
demonstrating
significant
success.
This
review
presents
foundational
principles
learning
including
oncology
taxonomy
strategies.
We
delve
into
recent
advancements
in
GNNs
oncology,
spotlighting
key
studies
their
pivotal
findings.
discuss
unique
challenges
such
heterogeneity
complexities,
alongside
opportunities
it
a
more
nuanced
comprehensive
understanding
cancer.
Finally,
we
present
some
latest
pan-cancer
By
surveying
landscape
our
goal
is
underline
transformative
potential
Transformers.
Through
technological
methodological
innovations
presented
this
review,
aim
chart
course
future
promising
field.
may
be
first
that
highlights
current
state
applications
using
transformers,
sources,
sets
stage
evolution,
encouraging
further
exploration
care.
Bioinformatics Advances,
Journal Year:
2024,
Volume and Issue:
4(1)
Published: Jan. 1, 2024
Abstract
Summary
Network
biology
is
an
interdisciplinary
field
bridging
computational
and
biological
sciences
that
has
proved
pivotal
in
advancing
the
understanding
of
cellular
functions
diseases
across
systems
scales.
Although
been
around
for
two
decades,
it
remains
nascent.
It
witnessed
rapid
evolution,
accompanied
by
emerging
challenges.
These
stem
from
various
factors,
notably
growing
complexity
volume
data
together
with
increased
diversity
types
describing
different
tiers
organization.
We
discuss
prevailing
research
directions
network
biology,
focusing
on
molecular/cellular
networks
but
also
other
such
as
biomedical
knowledge
graphs,
patient
similarity
networks,
brain
social/contact
relevant
to
disease
spread.
In
more
detail,
we
highlight
areas
inference
comparison
multimodal
integration
heterogeneous
higher-order
analysis,
machine
learning
network-based
personalized
medicine.
Following
overview
recent
breakthroughs
these
five
areas,
offer
a
perspective
future
biology.
Additionally,
scientific
communities,
educational
initiatives,
importance
fostering
within
field.
This
article
establishes
roadmap
immediate
long-term
vision
Availability
implementation
Not
applicable.
British Journal of Cancer,
Journal Year:
2024,
Volume and Issue:
131(2), P. 205 - 211
Published: May 10, 2024
Abstract
Multi-omics
experiments
at
bulk
or
single-cell
resolution
facilitate
the
discovery
of
hypothesis-generating
biomarkers
for
predicting
response
to
therapy,
as
well
aid
in
uncovering
mechanistic
insights
into
cellular
and
microenvironmental
processes.
Many
methods
data
integration
have
been
developed
identification
key
elements
that
explain
predict
disease
risk
other
biological
outcomes.
The
heterogeneous
graph
representation
multi-omics
provides
an
advantage
discerning
patterns
suitable
predictive/exploratory
analysis,
thus
permitting
modeling
complex
relationships.
Graph-based
approaches—including
neural
networks—potentially
offer
a
reliable
methodological
toolset
can
provide
tangible
alternative
scientists
clinicians
seek
ideas
implementation
strategies
integrated
analysis
their
omics
sets
biomedical
research.
workflows
continue
push
limits
technological
envelope,
this
perspective
focused
literature
review
research
articles
which
machine
learning
is
utilized
analyses,
with
several
examples
demonstrate
effectiveness
graph-based
approaches.
Computational and Structural Biotechnology Journal,
Journal Year:
2025,
Volume and Issue:
27, P. 265 - 277
Published: Jan. 1, 2025
Despite
the
wealth
of
single-cell
multi-omics
data,
it
remains
challenging
to
predict
consequences
novel
genetic
and
chemical
perturbations
in
human
body.
It
requires
knowledge
molecular
interactions
at
all
biological
levels,
encompassing
disease
models
humans.
Current
machine
learning
methods
primarily
establish
statistical
correlations
between
genotypes
phenotypes
but
struggle
identify
physiologically
significant
causal
factors,
limiting
their
predictive
power.
Key
challenges
modeling
include
scarcity
labeled
generalization
across
different
domains,
disentangling
causation
from
correlation.
In
light
recent
advances
data
integration,
we
propose
a
new
artificial
intelligence
(AI)-powered
biology-inspired
multi-scale
framework
tackle
these
issues.
This
will
integrate
organism
hierarchies,
species
genotype-environment-phenotype
relationships
under
various
conditions.
AI
inspired
by
biology
may
targets,
biomarkers,
pharmaceutical
agents,
personalized
medicines
for
presently
unmet
medical
needs.
Genome Medicine,
Journal Year:
2025,
Volume and Issue:
17(1)
Published: Feb. 7, 2025
Abstract
Ineffective
medication
is
a
major
healthcare
problem
causing
significant
patient
suffering
and
economic
costs.
This
issue
stems
from
the
complex
nature
of
diseases,
which
involve
altered
interactions
among
thousands
genes
across
multiple
cell
types
organs.
Disease
progression
can
vary
between
patients
over
time,
influenced
by
genetic
environmental
factors.
To
address
this
challenge,
digital
twins
have
emerged
as
promising
approach,
led
to
international
initiatives
aiming
at
clinical
implementations.
Digital
are
virtual
representations
health
disease
processes
that
integrate
real-time
data
simulations
predict,
prevent,
personalize
treatments.
Early
applications
DTs
shown
potential
in
areas
like
artificial
organs,
cancer,
cardiology,
hospital
workflow
optimization.
However,
widespread
implementation
faces
several
challenges:
(1)
characterizing
dynamic
molecular
changes
biological
scales;
(2)
developing
computational
methods
into
DTs;
(3)
prioritizing
mechanisms
therapeutic
targets;
(4)
creating
interoperable
DT
systems
learn
each
other;
(5)
designing
user-friendly
interfaces
for
clinicians;
(6)
scaling
technology
globally
equitable
access;
(7)
addressing
ethical,
regulatory,
financial
considerations.
Overcoming
these
hurdles
could
pave
way
more
predictive,
preventive,
personalized
medicine,
potentially
transforming
delivery
improving
outcomes.