Artificial Intelligence will map the chemical space to help navigate through the wide diversity of chemical compounds
Thursday, March 21, 2019 - 10:00
in Mathematics & Economics
Scientists from the Skoltech Center for Computational and Data-Intensive Science and Engineering (CDISE) and Helmholtz Munich Center for Environmental Health (HMGU, Germany) have created a neural network for visualizing the chemical space of 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 results of the study were published in RSC Advances.