Artificial intelligence (AI) has permeated various sectors, including the pharmaceutical
industry and research, where it has been utilized to efficiently identify new chemical entities …

Drug metabolism and excretion play crucial roles in determining the efficacy and safety of
drug candidates, and predicting these processes is an essential part of drug discovery and …

Cancer nanotechnologies possess immense potential as therapeutic and diagnostic
treatment modalities and have undergone significant and rapid advancement in recent …

The use of artificial intelligence (AI) and machine learning (ML) in pharmaceutical research
and development has to date focused on research: target identification; docking-, fragment …

Intelligent agents powered by large language models (LLMs) have demonstrated substantial
promise in autonomously conducting experiments and facilitating scientific discoveries …

In recent years, the pharmaceutical business has seen a considerable increase in data
digitization. With digitization, however, comes the challenge of obtaining, analyzing, and …

Background: The lengthy and expensive process of developing a novel medicine often takes
many years and entails a significant financial burden due to its poor success rate …

Artificial intelligence (AI) has emerged as a transformative technology with significant
potential to revolutionize disease understanding and drug design in healthcare. AI serves as …

Neurodegenerative diseases (NDD) have been of great interest to scientists for a long time
due to their multifactorial character. Among these pathologies, Alzheimer's disease (AD) is of …

Using the Quantum Theory of Atoms in Molecules, the average electron density (AED) tool
was developed and employed to quantitatively evaluate the similarities between bioisosteric …