COMPOUND DISCOVERY VIA INFORMATION DIVERGENCE WITH KNOWLEDGE GRAPHS

摘要

Complex computer system architectures are described for utilizing a knowledge data graph comprised of elements, and selecting a discovery element to replace an existing element of a formulation depicted in the knowledge data graph. The substitution process takes advantage of the knowledge data graph structure to improve the computing capabilities of a computing device executing a substitution calculation by translating the knowledge data graph into an embedding space, and determining a discovery element from within the embedding space.