MentallyHealth.Org

Numerate awarded new contract by Defense Threat Reduction Agency

June 01, 2017

"We are excited to be working on this project with TMT one of the few organizations with a vision to radically transform the drug discovery and development process," said Guido Lanza, Chief Executive Officer at Numerate. "The only way to significantly improve the efficiency of drug discovery is with a new approach that lets the data drive the design process and addresses all of the key design criteria in parallel, including activity, ADME, patentability, and safety. Numerate's technology platform provides the basis for just such a paradigm shift, not only to enable the timely design of biowarfare countermeasures, but also to solve major challenges in the design and development of new drugs to treat cancer, diabetes, inflammation and other diseases burdening the healthcare system."

Leveraging the Computing Power of the Cloud

To make their discoveries, Numerate scientists begin with a quantitative set of requirements for a new drug for a given indication. Next, they obtain and curate all available data relevant to these requirements and develop predictive models for each property using modern machine-learning techniques. They then proceed to search for molecules likely to meet the desired profile by evaluating spaces of up to 10 billion compounds with these predictive models. Finally, the best compounds are synthesized and their properties verified in the laboratory.

"This process is extremely computationally intensive, requiring up to one million CPU hours per project. Such a process would be inconceivable without capabilities such as Amazon's Elastic Compute Cloud (EC2), which we have leveraged since Numerate's inception three years ago," stated Dr. Duffy.

Numerate will expand its use of the cloud to optimize the ADME properties of these compounds to ensure that their successes in vitro routinely translate to successes in vivo and in the clinic.

Source Numerate