Plexus Discovery - reaction enumeration made too easy

May 2014 Author: ()

We give an overview about Plexus Discovery, a new intuitive workflow driven interface and early phase drug discovery module of Plexus Suite. Workflows focus on compound library design and analysis; database management, chemical searching and filtering, scaffold and reaction based enumeration, phys-chem property calculation, clustering analysis and similarity searching. Latest developments include a building blocks collection making reagent filtering and usage easy as well as the addition of a reaction based enumeration engine. User feedback influencing ‘intuitive’ will also be discussed.