AIMC Topic: Permeability

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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...

Blood Brain Barrier Permeability Prediction Using Machine Learning Techniques: An Update.

Current pharmaceutical biotechnology
Blood Brain Barrier (BBB) is the collection of vessels of blood with special properties of permeability that allow a limited range of drug and compounds to pass through it. The BBB plays a vital role in maintaining balance between intracellular and e...

Network pharmacology-based analysis of Chinese herbal Naodesheng formula for application to Alzheimer's disease.

Chinese journal of natural medicines
Naodesheng (NDS) formula, which consists of Rhizoma Chuanxiong, Lobed Kudzuvine, Carthamus tinctorius, Radix Notoginseng, and Crataegus pinnatifida, is widely applied for the treatment of cardio/cerebrovascular ischemic diseases, ischemic stroke, and...

An intelligent detecting system for permeability prediction of MBR.

Water science and technology : a journal of the International Association on Water Pollution Research
The membrane bioreactor (MBR) has been widely used to purify wastewater in wastewater treatment plants. However, a critical difficulty of the MBR is membrane fouling. To reduce membrane fouling, in this work, an intelligent detecting system is develo...

The application of machine learning to the modelling of percutaneous absorption: an overview and guide.

SAR and QSAR in environmental research
Machine learning (ML) methods have been applied to the analysis of a range of biological systems. This paper reviews the application of these methods to the problem domain of skin permeability and addresses critically some of the key issues. Specific...