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Assessing structural novelty of the first AI-designed drug candidates to go into human clinical trials

This blog details the recently published CAS indicator of drug innovation based on the structural novelty of new molecular entities (NMEs) which may better assess innovativeness of new drugs.

Fresh perspective - Viewing pharma innovation differently reveals new opportunities

Breakthrough Therapy Designation: The Real World Impact of Structural Novelty

Find out how companies improve their prediction accuracy, obtain Breakthrough Technology Status and shorten the development and review time of new drugs by leveraging CAS advanced machine learning methods.

New findings reveal innovation in small molecule discovery is accelerating

Though an increasing number of novel chemical compounds are being synthesized each year, there is growing concern that innovation may be stagnating in small molecule discovery. However, new research published by CAS scientists in the October 2019 Journal of Organic Chemistry reveals that the pace of small molecule innovation is actually accelerating from a structural perspective and offers insights into finding fruitful new areas for further investigation as chemists navigate a vast and largely unexplored chemical space.

Finding cures faster: Partnering human expertise with powerful algorithms to uncover viable new disease targets

Finding new and better treatments for many of today’s most complex diseases depends on uncovering new targets. However, target identification remains a formidable challenge in drug discovery. While evidence suggests that there is a wealth of opportunities waiting to be discovered in less-explored areas of the human genome, and there is no shortage of published scientific data to consider, the volume and complexity of this information makes it a difficult path to follow.

Finding cures faster: AI charting the course into new regions of chemical space

Drug hunters are pushing the boundaries of the known chemical space by searching previously unexplored regions to find new drugs. Today, many researchers are hunting for cures through a more systematic exploration of the chemical universe. New technologies and approaches are making drug discovery far more proactive, saving time and resources, and allowing cures to get to market faster.