High-performance Computing Drug Discovery Initiative

PURPOSE:THE PURPOSE OF THIS PROJECT IS TO USE MACHINE LEARNING AND OTHER ADVANCED COMPUTATIONAL METHODS TO ACCELERATE THE THERAPEUTIC DRUG DISCOVERY PROCESS.ACTIVITIES TO BE PERFORMED:THE RESEARCHERS WILL ACQUIRE AND IMPLEMENT A HIGH-PERFORMANCE DATA ANALYTIC AND COMPUTING INFRASTRUCTURE AT THE UNIVERSITY AT BUFFALO (UB). THEY WILL USE THIS INFRASTRUCTURE TO APPLY THE COMPUTATIONAL ANALYSIS OF NOVEL DRUG OPPORTUNITIES (CANDO) PLATFORM TO DISCOVER AND DESIGN THERAPEUTIC DRUG THERAPIES TO TREAT A VARIETY OF HIGH PRIORITY DISEASES.EXPECTED OUTCOMES:THE PROJECT EXPECTS TO RAPIDLY IDENTIFY NOVEL COMPOUNDS WITH THE POTENTIAL TO BE USED AS THERAPEUTICS. IN ADDITION, THIS FACILITY WILL IMPROVE RESEARCH, TRAINING, AND EDUCATION ACTIVITIES AT UB.INTENDED BENEFICIARIES:THIS IS TO ACQUIRE A HIGH-PERFORMANCE DATA ANALYTIC INFRASTRUCTURE TO SUPPORT A COMPUTATIONAL DRUG DISCOVERY PLATFORM. THIS WILL LEAD TO COMMERCIALIZATION OF NEW DRUGS FOR PATIENT USE BENEFITING THE US PHARMACEUTICAL INDUSTRY, PUBLIC, AND RESEARCHERS INTERESTED IN DRUG DISCOVERY METHODS.SUBRECIPIENT ACTIVITIES:THE RECIPIENT DOES NOT INTEND TO SUB AWARD FUNDS.