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Scientists from the Skoltech Center for Computational and Data-Intensive Science and Engineering and Helmholtz Munich Center for Environmental have created a neural network for visualizing the chemical space compounds that can be of potential value for the pharmaceutical industry.

The new method will help to create new chemical compounds and navigate in the space of the existing chemicals.

The new method places molecules with similar properties close to one another so that the compounds can be grouped into classes according to their properties.

The authors of the study trained their neural network on millions of compounds with known biological activity. Read More

thumbnail courtesy of phys.org