Researchers' novel tool to help develop safer pesticides

The majority of commercial chemicals that enter the market in the United States every year have insufficient health and safety data. For pesticides, the U.S. Environmental Protection Agency uses a variety of techniques to ...

Artificial intelligence takes structural biology to the next level

A scientist at Karolinska Institutet reports that machine learning can be used to gain insights into molecular events that change the shape of proteins after they are made, regulating their ability to interact with each other. ...

Improving weather simulations through increased generality

Modern weather forecasts and climate studies rely heavily on computer simulations implementing physical models. These models need to make cohesive large-scale predictions but also include enough small-scale detail to be relevant ...

New framework applies machine learning to atomistic modeling

Northwestern University researchers have developed a new framework using machine learning that improves the accuracy of interatomic potentials—the guiding rules describing how atoms interact—in new materials design. The ...

Computer vision helps find binding sites in drug targets

Scientists from the iMolecule group at Skoltech Center for Computational and Data-Intensive Science and Engineering (CDISE) developed BiteNet, a machine learning (ML) algorithm that helps find drug binding sites, i.e. potential ...

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