A Quantum-Inspired Method for Three-Dimensional Ligand-Based Virtual Screening.

Measuring similarity between molecules is an important part of virtual screening (VS) experiments deployed during the early stages of drug discovery. Most widely used methods for evaluating the similarity of molecules use molecular fingerprints to encode structural information. While similarity methods using fingerprint encodings are efficient, they do not consider all the relevant aspects of molecular structure.

Teaching an Old Log New Tricks with Machine Learning.

To most people, the log file would not be considered an exciting area in technology today. However, these relatively benign, slowly growing data sources can drive large business transformations when combined with modern-day analytics. Accenture Technology Labs has built a new framework that helps to expand existing vendor solutions to create new methods of gaining insights from these benevolent information springs.