ALEXANDRIA, Va., June 18 -- United States Patent no. 12,327,616, issued on June 10, was assigned to Microsoft Technology Licensing LLC (Redmond, Wash.).

"Pre-training molecule embedding GNNs using contrastive learning based on scaffolding" was invented by Mohammad Reza Sarshogh (Seattle) and Robin Abraham (Redmond, Wash.).

According to the abstract* released by the U.S. Patent & Trademark Office: "Systems and methods are provided for generating a training dataset for training a molecule embedding module using contrastive learning, wherein the definition of similarity is based on molecular scaffold similarity. For example, systems access a molecular dataset and separate the molecular dataset into positive samples and negative samples. Syst...