Machine learning is an essential component of artificial intelligence. Whether it’s powering recommendation engines, fraud detection systems, self-driving cars, generative AI, or any of the countless ...

Structure-based drug design is the design and optimization of a chemical structure with the goal of identifying a compound suitable for clinical testing — a drug candidate. It is based on knowledge of ...

The electronic structure of atoms and molecules is the series of energy levels that it are possible for a bound electron to occupy. This electronic structure determines many of the defining ...