Diversified Applications of Self-assembled Nanocluster Delivery Systems- A State-ofthe- art Review.

Background: For the nanoparticulate system and the transportation of cellular elements for the fabrication of microelectronic devices, self-assembled nanoclusters arrange the components into an organized structure. Nanoclusters reduce transcytosis and increase endocytosis in intestinal mucin to strengthen the retrograde pathway that helps for delivery of actives to the Golgi apparatus.

Objectives: This review article focuses on the self-assembled nanoclusters for cellular transportation, applications of self-assembled structures in the delivery of essential elements like using a peptide in targeted and stimuli-responsive drug delivery systems, and self-assembly of tocopherol nanoclusters that promote vitamin E delivery across the endothelial barrier.

MEMES: Machine learning framework for Enhanced MolEcular Screening.

In drug discovery applications, high throughput virtual screening exercises are routinely performed to determine an initial set of candidate molecules referred to as "hits". In such an experiment, each molecule from a large small-molecule drug library is evaluated in terms of physical properties such as the docking score against a target receptor. In real-life drug discovery experiments, drug libraries are extremely large but still there is only a minor representation of the essentially infinite chemical space, and evaluation of physical properties for each molecule in the library is not computationally feasible.