AIMC Topic: Biological Transport

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A merged molecular representation deep learning method for blood-brain barrier permeability prediction.

Briefings in bioinformatics
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)
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...

LightBBB: computational prediction model of blood-brain-barrier penetration based on LightGBM.

Bioinformatics (Oxford, England)
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...

Classification of particle trajectories in living cells: Machine learning versus statistical testing hypothesis for fractional anomalous diffusion.

Physical review. E
Single-particle tracking (SPT) has become a popular tool to study the intracellular transport of molecules in living cells. Inferring the character of their dynamics is important, because it determines the organization and functions of the cells. For...

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
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...

Schwann Cell and Axon: An Interlaced Unit-From Action Potential to Phenotype Expression.

Advances in experimental medicine and biology
Here we propose a model of a peripheral axon with a great deal of autonomy from its cell body-the autonomous axon-but with a substantial dependence on its ensheathing Schwann cell (SC), the axon-SC unit. We review evidence in several fields and show ...