predicts
A new model predicts how molecules will dissolve in different solvents
Using machine learning, MIT chemical engineers have created a computational model that can predict how well any given molecule will dissolve in an organic solvent — a key step in the synthesis of nearly any pharmaceutical. This type of prediction could make it much easier to develop new ways to produce drugs and other useful…
Model predicts long-term effects of nuclear waste on underground disposal systems
As countries across the world experience a resurgence in nuclear energy projects, the questions of where and how to dispose of nuclear waste remain as politically fraught as ever. The United States, for instance, has indefinitely stalled its only long-term underground nuclear waste repository. Scientists are using both modeling and experimental methods to study the…
New model predicts a chemical reaction’s point of no return
When chemists design new chemical reactions, one useful piece of information involves the reaction’s transition state — the point of no return from which a reaction must proceed. This information allows chemists to try to produce the right conditions that will allow the desired reaction to occur. However, current methods for predicting the transition state…
AI system predicts protein fragments that can bind to or inhibit a target
All biological function is dependent on how different proteins interact with each other. Protein-protein interactions facilitate everything from transcribing DNA and controlling cell division to higher-level functions in complex organisms. Much remains unclear, however, about how these functions are orchestrated on the molecular level, and how proteins interact with each other — either with other…
GenCast predicts weather and the risks of extreme conditions with state-of-the-art accuracy
Technologies Published 4 December 2024 Authors Ilan Price and Matthew Willson New AI model advances the prediction of weather uncertainties and risks, delivering faster, more accurate forecasts up to 15 days ahead Weather impacts all of us — shaping our decisions, our safety, and our way of life. As climate change drives more extreme weather…