MIT researchers have designed silicon structures that can perform calculations in an electronic device using excess heat instead of electricity. These tiny structures could someday enable more ...

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 ...

Standardizing structural isomeric relationships and evaluating their distribution in chemical space remain significant challenges in cheminformatics. Here, the authors propose a molecular ...