AIMC Topic: Blood-Brain Barrier
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Machine Learning in Drug Development for Neurological Diseases: A Review of Blood Brain Barrier Permeability Prediction Models.
Molecular informatics
Mar 1, 2025
The blood brain barrier (BBB) is an endothelial-derived structure which restricts the movement of certain molecules between the general somatic circulatory system to the central nervous system (CNS). While the BBB maintains homeostasis by regulating ...
ESM-BBB-Pred: a fine-tuned ESM 2.0 and deep neural networks for the identification of blood-brain barrier peptides.
Briefings in bioinformatics
Nov 22, 2024
Blood-brain barrier peptides (BBBP) could significantly improve the delivery of drugs to the brain, paving the way for new treatments for central nervous system (CNS) disorders. The primary challenge in treating CNS disorders lies in the difficulty p...
Application of Deep Learning for Studying NMDA Receptors.
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2024
Artificial intelligence underwent remarkable advancement in the past decade, revolutionizing our way of thinking and unlocking unprecedented opportunities across various fields, including drug development. The emergence of large pretrained models, su...
Review on the Artificial Intelligence-based Nanorobotics Targeted Drug Delivery System for Brain-specific Targeting.
Current pharmaceutical design
Jan 1, 2023
Contemporary medical research increasingly focuses on the blood-brain barrier (BBB) to maintain homeostasis in healthy individuals and provide solutions for neurological disorders, including brain cancer. Specialized in vitro modules replicate the BB...
A merged molecular representation deep learning method for blood-brain barrier permeability prediction.
Briefings in bioinformatics
Sep 20, 2022
The ability of a compound to permeate across the blood-brain barrier (BBB) is a significant factor for central nervous system drug development. Thus, for speeding up the drug discovery process, it is crucial to perform high-throughput screenings to p...
Relational graph convolutional networks for predicting blood-brain barrier penetration of drug molecules.
Bioinformatics (Oxford, England)
May 13, 2022
MOTIVATION: Evaluating the blood-brain barrier (BBB) permeability of drug molecules is a critical step in brain drug development. Traditional methods for the evaluation require complicated in vitro or in vivo testing. Alternatively, in silico predict...
Ensemble modeling with machine learning and deep learning to provide interpretable generalized rules for classifying CNS drugs with high prediction power.
Briefings in bioinformatics
Jan 17, 2022
The trade-off between a machine learning (ML) and deep learning (DL) model's predictability and its interpretability has been a rising concern in central nervous system-related quantitative structure-activity relationship (CNS-QSAR) analysis. Many st...
LightBBB: computational prediction model of blood-brain-barrier penetration based on LightGBM.
Bioinformatics (Oxford, England)
May 23, 2021
MOTIVATION: Identification of blood-brain barrier (BBB) permeability of a compound is a major challenge in neurotherapeutic drug discovery. Conventional approaches for BBB permeability measurement are expensive, time-consuming and labor-intensive. BB...
Dual-responsive biohybrid neutrobots for active target delivery.
Science robotics
Mar 24, 2021
Swimming biohybrid microsized robots (e.g., bacteria- or sperm-driven microrobots) with self-propelling and navigating capabilities have become an exciting field of research, thanks to their controllable locomotion in hard-to-reach areas of the body ...
Planning Framework for Robot-assisted Blood-Brain Barrier Opening with Focused Ultrasound.
Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
Jul 1, 2020
This article presents a method to plan BloodBrain Barrier (BBB) disruption with Focused Ultrasound, under neuronavigated robotic assistance. Robotic and acoustic constraints are defined to estimate brain target accessibility. The relevance of the pro...
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