Researchers have discovered a new way to drive chemical reactions that could generate a wide variety of azetidines -- four-membered nitrogen heterocycles that have desirable pharmaceutical properties.

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

The National Academies will convene a committee to organize a workshop on navigating the benefits and biosecurity risks of communicating studies involving the use of computational modeling and ...

Computational modeling and simulation of nanomaterials strongly complement physical experiments. They enable the prediction of characteristics and processes under conditions difficult to replicate or ...

Computational models and simulations have had an important role in engineering analysis since as far back as the 1960s. It is widely recognized that the use of modeling and simulation tools can make ...

Biomedical Artificial Intelligence and Computational Modeling are new emerging areas in biomedical engineering. These areas cover: Data analysis and interpretation: developing and applying algorithms ...

Disturbances to the gut microbiome contribute to health conditions like inflammatory bowel disease (IBD). To better understand how those microbes interact with each other and their environment, ...

This work reviews CM-cfDNA methods applied to clinical oncology, emphasizing both machine learning (ML) techniques and mechanistic approaches. The latter integrate biological principles, enabling a ...

FSU College of Engineering and Florida State University’s Resilient Infrastructure and Disaster Response Center examined several types of flood models to highlight their strengths and weaknesses and ...

CAMBRIDGE, MA — Researchers from MIT and the University of Michigan have discovered a new way to drive chemical reactions that could generate a wide variety of compounds with desirable pharmaceutical ...