Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...

CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical catalysts based on the specific chemical reactions in which they are used. The ...

Chemical reactions are the breaking and forming of chemical bonds, which are fundamental to the creation of new technologies. Inevitably, discovering and developing new chemical reactions is a ...

Researchers have used machine learning to create a model that simulates reactive processes in organic materials and conditions. Researchers from Carnegie Mellon University and Los Alamos National ...

Just like an astronomer investigates outer space, a chemist explores chemical space—a theoretical territory with all possible known (and unknown) chemical compounds. Researchers estimate chemical ...

This course gives an introduction to how to create genetic circuit models. These models leverage chemical reactions represented using the Systems Biology Markup Language (SBML). The second module ...

Adverse drug reactions (ADRs) are a significant cause of hospital admissions and treatment discontinuation worldwide. Conventional approaches often fail to detect rare or delayed effects of medicinal ...

HOUSTON – (April 5, 2024) – If you were to throw a message in a bottle into a black hole, all of the information in it, down to the quantum level, would become completely scrambled. Because in black ...

Undertake a design project to construct, test, and modify a device that either releases or absorbs thermal energy by chemical processes. In Chapter 5, students learned how the process of dissolving ...