Tropical disease drug discovery is an interdisciplinary field at the intersection of medicinal chemistry, computational biology, and global health. Despite ...

Machine learning in drug discovery, along with artificial intelligence, is transforming the pharmaceutical industry by accelerating the development of new treatments. Historically, the process of ...

Antimicrobial resistance (AMR) remains one of the most serious and urgent global health challenges, which significantly ...

Literature searches, simulations, and practical experiments have been part of the materials science toolkit for decades, but the last few years have seen an explosion of machine learning-driven ...

The drug development pipeline is a costly and lengthy process. Identifying high-quality "hit" compounds-those with high potency, selectivity, and favorable metabolic properties-at the earliest stages ...

Machine learning, a type of artificial intelligence, has many applications in science, from finding gravitational lenses in the distant universe to predicting virus evolution. Hubble Space Telescope ...

After uncovering a unifying algorithm that links more than 20 common machine-learning approaches, researchers organized them into a 'periodic table of machine learning' that can help scientists ...

A fast and accurate surrogate model screens over 10,000 possible metal-oxide supports for a platinum nanocatalyst to prevent sintering under high temperatures. Metal nanoparticles catalyze reactions ...

The field of artificial intelligence (AI) is now revolutionizing the medical sector, particularly in the discovery of new antibiotics. Thanks to AI, new antibiotics have been discovered in a fraction ...

Machine learning (ML) has emerged as a transformative tool in polymer science, enabling researchers to predict material properties and guide polymer design with unprecedented speed and precision.