Building AI models that understand chemical principles
Connor Coley works at the interface of chemistry and machine learning, to discover and design new drug compounds.
Drug discovery
AI maps how a new antibiotic targets gut bacteria
MIT CSAIL and McMaster researchers used a generative AI model to reveal how a narrow-spectrum antibiotic attacks disease-causing bacteria, speeding up a process that normally takes years.
Researchers glimpse the inner workings of protein language models
A new approach can reveal the features AI models use to predict proteins that might make good drug or vaccine targets.
How AI could speed the development of RNA vaccines and other RNA therapies
MIT engineers used a machine-learning model to design nanoparticles that can deliver RNA to cells more efficiently.
New machine-learning application to help researchers predict chemical properties
ChemXploreML makes advanced chemical predictions easier and faster — without requiring deep programming skills.
Could LLMs help design our next medicines and materials?
A new method lets users ask, in plain language, for a new molecule with certain properties, and receive a detailed description of how to synthesize it.
Toward video generative models of the molecular world
Starting with a single frame in a simulation, a new system uses generative AI to emulate the dynamics of molecules, connecting static molecular structures and developing blurry pictures into videos.
A new computational model can predict antibody structures more accurately
Using this model, researchers may be able to identify antibody drugs that can target a variety of infectious diseases.
When MIT’s interdisciplinary NEET program is a perfect fit
Junior Katie Spivakovsky describes her path through New Engineering Education Transformation to biomedical research and beyond.
When an antibiotic fails: MIT scientists are using AI to target “sleeper” bacteria
Most antibiotics target metabolically active bacteria, but with artificial intelligence, researchers can efficiently screen compounds that are lethal to dormant microbes.