Researchers at Rensselaer Polytechnic Institute (RPI) have come up with computational tools that serve as a virtual screening lab to help chemists weed through millions of possible drug candidates even before they dirty their first test tube.
Chemist Curt Breneman, mathematician Kristin Bennett, and computer scientist Mark Embrechts developed faster and more accurate techniques for describing molecules and combined them with next-generation neural networks and learning methods as part of the Drug Discovery and Semi-Supervised Learning (DDASSL) project.
Funded by a $1.2 million National Science Foundation Knowledge and Distributed Intelligence award, the DDASSL (pronounced "dazzle") project has spawned a number of descendants. Today, 10 research projects on the RPI campus, ranging from the life sciences to materials science to cybersecurity, can trace their origins in part to DDASSL (http://www.drugmining.com/).
Julie A. Smith | NSF
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