Subpocket Similarity-Based Hit Identification for Challenging Targets: Application to the WDR Domain of LRRK2
Journal of Chemical Information and Modeling,
Journal Year:
2024,
Volume and Issue:
64(13), P. 5344 - 5355
Published: June 25, 2024
ou
non,
émanant
des
établissements
d'enseignement
et
de
recherche
français
étrangers,
laboratoires
publics
privés.
Beyond hydrodynamics: The role of ion channels in dentine hypersensitivity
Yutong Sun,
No information about this author
Andrea Sanders,
No information about this author
David H. Pashley
No information about this author
et al.
Journal of Dentistry,
Journal Year:
2025,
Volume and Issue:
unknown, P. 105745 - 105745
Published: April 1, 2025
Language: Английский
Perspectives on current approaches to virtual screening in drug discovery
Expert Opinion on Drug Discovery,
Journal Year:
2024,
Volume and Issue:
19(10), P. 1173 - 1183
Published: Aug. 12, 2024
Introduction
For
the
past
two
decades,
virtual
screening
(VS)
has
been
an
efficient
hit
finding
approach
for
drug
discovery.
Today,
billions
of
commercially
accessible
compounds
are
routinely
screened,
and
many
successful
examples
VS
have
reported.
methods
continue
to
evolve,
including
machine
learning
physics-based
methods.
Language: Английский
Data-Driven Decision Support Systems for Drug Discovery and Development: A Case Study in Pharmaceutical Management
Deleted Journal,
Journal Year:
2024,
Volume and Issue:
20(3s), P. 691 - 699
Published: April 4, 2024
This
paper
covers
the
use
and
influence
of
data-driven
decision
support
systems
(DSS)
on
drug
management,
particularly
in
areas
exploration
production.
The
study,
which
employed
a
mixed-methods
approach,
involving
literature
review,
qualitative
interviews,
quantitative
assessments,
case
study
analysis,
reveals
AI,
machine
learning
big
data
analytics
ability
to
drive
discovery
development
processes
revolution
pharmaceutical
industry.
shows
that
handling
DSS
allows
sound
making,
consequently
resulting
improved
efficiency,
decreased
expenses
better
innovation
throughout
process.
Areas
like
integration,
algorithm
robustness,
regulation
are
identified
as
major
issues,
offers
an
insight
into
importance
these
concern
effective
application
approach
management.
Such
contrast
with
works
underlines
role
our
findings
essential
link
AI-driven
healthcare
innovations
chain.
research
provides
foundation
for
further
improving
state
knowledge
understanding
guiding
future
aiming
at
expanding
conceptual
frameworks
designing
practical
implementations.
Language: Английский