Leveraging multiple data types for improved compound-kinase bioactivity prediction
Abstract Machine learning provides efficient ways to map compound-kinase interactions.
However, diverse bioactivity data types, including single-dose and multi-dose-response …
However, diverse bioactivity data types, including single-dose and multi-dose-response …
Antineoplastics for treating Alzheimer's disease and dementia: Evidence from preclinical and observational studies
As the world population ages, there will be an increasing need for effective therapies for
aging‐associated neurodegenerative disorders, which remain untreatable. Dementia due to …
aging‐associated neurodegenerative disorders, which remain untreatable. Dementia due to …
Drug repurposing: a nexus of innovation, science, and potential
The urgency of finding therapeutic solutions for emerging and existing health challenges
has never been more pronounced. In the pursuit of this goal, the value of a strategy that …
has never been more pronounced. In the pursuit of this goal, the value of a strategy that …
AiKPro: deep learning model for kinome-wide bioactivity profiling using structure-based sequence alignments and molecular 3D conformer ensemble descriptors
The discovery of selective and potent kinase inhibitors is crucial for the treatment of various
diseases, but the process is challenging due to the high structural similarity among kinases …
diseases, but the process is challenging due to the high structural similarity among kinases …
AGAPE (computAtional G-quadruplex Affinitiy PrEdiction): The first AI In-silico workflow for G-quadruplex binding affinity prediction.
AGAPE (computAtional G-quadruplex Affinitiy PrEdiction) is an innovative machine learning
(ML)-based workflow developed to predict the potential stabilization of small molecules for G …
(ML)-based workflow developed to predict the potential stabilization of small molecules for G …
Drug Repurposing for Rare (Orphan) Diseases—Scope and Limitations
D Kumar - Apollo Medicine, 2024 - journals.sagepub.com
Effective and affordable treatment for rare diseases remains a huge challenge. Only a few
drugs have made inroads into the therapeutic arena for rare diseases. The current focus is …
drugs have made inroads into the therapeutic arena for rare diseases. The current focus is …
MinKLIFSAI: a simple machine learning approach toward selective kinase inhibitor
M Abdelalim - 2024 - chemrxiv.org
The aim of achieving selectivity in kinase inhibition is a big challenge within the realm of
drug discovery, particularly due to the structural similarities between various kinases. Can …
drug discovery, particularly due to the structural similarities between various kinases. Can …
Investigating deep learning methods for drug repurposing
IF Gonen - 2022 - politesi.polimi.it
The thriving field of drug repurposing presents a unique opportunity to address the
challenges of prolonged timelines and high costs associated with traditional drug discovery …
challenges of prolonged timelines and high costs associated with traditional drug discovery …