Artificial intelligence (AI) has emerged as a powerful tool to revolutionize the healthcare
sector, including drug delivery and development. This review explores the current and future …

The accumulation of massive data in the plethora of Cheminformatics databases has made
the role of big data and artificial intelligence (AI) indispensable in drug design. This has …

The dissociation rate (k off) associated with ligand unbinding events from proteins is a
parameter of fundamental importance in drug design. Here we review recent major …

Highlights•Inactivity data is helpful.•Structure-Inactivity Relationships (SIRs) are valuable in
drug discovery.•Machine and deep learning benefit from SIRs.•The inactivity data gap in the …

De novo drug design is a pivotal issue in pharmacology and a new area of focus in AI for
science research. A central challenge in this field is to generate molecules with specific …

Pharmaceutical analysis refers to an area of analytical chemistry that deals with active
compounds either by themselves (drug substance) or when formulated with excipients (drug …

Advances in computer hardware and the availability of high-performance supercomputing
platforms and parallel computing, along with artificial intelligence methods are successfully …

Alzheimer's disease (AD) stands as a formidable neurodegenerative ailment that poses a
substantial threat to the elderly population, with no known curative or disease-slowing drugs …

Adverse drug reactions continue to be not only one of the most urgent problems in clinical
medicine, but also a social problem. The aim of this study was a bibliometric analysis of the …

Herein, the aim of this work was to investigate the intermolecular interactions between
polyoxometalate (POMs) as a drug‐delivery system with nitrosourea at different sites: CH3 …