Neural Network Learns to Select Potential Anticancer Drugs

Scientists from Mail.Ru Group, Insilico Medicine and MIPT have for the first time applied a generative neural network to create new pharmaceutical medicines with the desired characteristics. By using Generative Adversarial Networks (GANs) developed and trained to "invent" new molecular structures, there may soon be a dramatic reduction in the time and cost of searching for substances with potential medicinal properties. The researchers intend to use these technologies in the search for new medications within various areas from oncology to CVDs and even anti-infectives. The first results were submitted to Oncotarget in June 2016 and spent several months in review. Since that time, the group has made many improvements to the system and engaged with some of the leading pharmaceutical companies.