March 2019 newsletter

Rapid interpretation of patent SAR using Forge™

Tim Cheeseright explains how Forge can be used to rapidly convert patent data into actionable insights of SAR with minimal human intervention and time.

Building regression models in Forge™

New Machine Learning methods in Forge significantly expand the range of available QSAR model building options, giving you more opportunities to build a predictive model useful in project work. Our latest web clip demonstrates how to generate a QSAR regression model. View this and other video clips.

Application of Spark™ to the discovery of novel LpxC inhibitors

Novartis Institutes for Biomedical Research recently published the paper ‘Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline’. Suneel Kumar highlights how, in this paper, a traditional scaffold hopping experiment using Spark led to the identification of novel oxazolidinone and isoxazoline LpxC inhibitors active on Gram negative bacteria.

How do I turn my biology insight into a novel therapeutic?

Caroline Low looks at some of the ways that in silico technology can be used to translate your ideas into chemical tools. Optimizing the drug-like properties of these early hit compounds will put you on the road to defining a lead series and onwards to nominating a drug candidate for clinical studies.