Predicting the ability of chemical species to cross the blood–brain barrier (BBB) is an active
field of research for development and mechanistic understanding in the pharmaceutical …

Compartmentalization of drug molecules between plasma and brain is important for desired
activities. The difficulty in obtaining the blood–brain permeability of drug (like) substances …

The intricate nature of the blood–brain barrier (BBB) poses a significant challenge in
predicting drug permeability, which is crucial for assessing central nervous system (CNS) …

Predicting blood-brain barrier (BBB) permeability is essential to drug development, as a
molecule cannot exhibit pharmacological activity within the brain parenchyma without first …

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 …

The blood–brain barrier (BBB) protects the brain from the toxic side effects of drugs and
exogenous molecules. However, it is crucial that medications developed for neurological …

Traditional experimental approaches to evaluate the Blood-Brain Barrier (BBB) permeability
of a drug are expensive and time consuming. Hence, several computational models have …

We present four models of solution free-energy prediction for druglike molecules utilizing
cheminformatics descriptors and theoretically calculated thermodynamic values. We make …

The blood-brain barrier (BBB) controls the entry of chemicals from the blood to the brain.
Since brain drugs need to penetrate the BBB, rapid and reliable prediction of BBB …

ABSTRACT Purpose Experimental Blood–Brain Barrier (BBB) permeability models for drug
molecules are expensive and time-consuming. As alternative methods, several traditional …