Preface [Hot topic: Carbohydrates (Executive Editor: Istvan Toth)]

Over the past decade, small-molecule drugs have remained the dominant force among approved therapeutics. Recent advances in artificial intelligence and structural biology now enable researchers to discover novel targets for small molecule inhibitors with greater precision and to pursue rational drug design, markedly accelerating the development of new small molecule ...read more

This Thematic Issue will focus on the integration of artificial intelligence (AI) and generative models into medicinal chemistry, highlighting how these tools are reshaping drug discovery and development. The issue will provide readers with an overview of state-of-the-art algorithms, successful case studies, and translational opportunities, while also addressing current challenges ...read more

Neglected Tropical Diseases (NTDs) such as leishmaniasis, Chagas disease, schistosomiasis, filariasis, and dengue fever continue to impose a heavy health and economic burden on populations in developing regions. Despite affecting over a billion people globally, these diseases remain underfunded and understudied due to their limited commercial appeal. Recent advances in ...read more

The advent of robust and faster computational tools and algorithms have revolutionized the work of chemical and pharmaceutical laboratories. Artificial intelligence and machine learning algorithms have demonstrated potential roles in synthetic planning of small molecules. In silico synthetic planning is a novel approach recently adopted by few companies that are ...read more