Fragment-based drug (or lead) discovery (FBDD or FBLD) has developed in the last two
decades to become a successful key technology in the pharmaceutical industry for early …

ABSTRACT Introduction: Artificial Intelligence (AI) has become a component of our everyday
lives, with applications ranging from recommendations on what to buy to the analysis of …

Cellular senescence is a stress response involved in ageing and diverse disease processes
including cancer, type-2 diabetes, osteoarthritis and viral infection. Despite growing interest …

Comparative evaluation of virtual screening methods requires a rigorous benchmarking
procedure on diverse, realistic, and unbiased data sets. Recent investigations from …

Drug research and development is a long-term and complicated process with the
involvement of multidisciplinary, multi-sector cooperation and regulations of the Food and …

Artificial Intelligence is providing astonishing results, with medicine being one of its favourite
playgrounds. Machine Learning and, in particular, Deep Neural Networks are behind this …

The use of machine learning in drug discovery is examined in this review article along with
any potential advantages, difficulties, and prospective future developments. The article …

Rosetta is a computational software suite containing algorithms for a wide variety of
macromolecular structure prediction and design tasks including small molecule protocols …

Background: The impact of schistosomiasis, which affects over 230 million people,
emphasizes the urgency of developing new antischistosomal drugs. Artificial intelligence is …

The aryl hydrocarbon receptor (AhR), which is a ligand-dependent transcription factor, plays
a crucial role in the regulation of xenobiotic metabolism. There are a large number of …