Deep learning applied to drug discovery and repurposing

In a recently accepted manuscript titled "Deep learning applications for predicting pharmacological properties of drugs and drug repurposing using transcriptomic data", scientists from Insilico Medicine, Inc located at the Emerging Technology Centers at Johns Hopkins University in collaboration with Datalytic Solutions and Mind Research Network presented a novel approach applying deep neural networks (DNNs) to predict pharmacologic properties of many drugs. In this study, scientists trained deep neural networks to predict the therapeutic use of a large number of drugs using gene expression data obtained from high-throughput experiments on human cell lines. Authors used a sophisticated approach of measuring the differential signaling pathway activation score for a large number of pathways to reduce the dimensionality of the data while retaining biological relevance and used these scores to train the deep neural networks. "The world of artificial intelligence is rapidly evolving and affecting every aspect of our daily life. And soon this progress will be felt in the pharmaceutical industry. We set up the Pharma.AI division to help pharmaceutical companies significantly accelerate their R&D and increase the number of approved drugs, but in the process we came up with over 800 strong hypotheses in oncology, cardiovascular, metabolic and CNS space and started basic validation. We are cautious about making strong statements, but if this approach works, it will uberize the pharmaceutical industry and generate unprecedented number of QALY", said Alex Zhavoronkov, PhD, CEO of Insilico Medicine, Inc.