Compound Database & Virtual Library Creation

The technology that has made Scopius the world’s top screening database can be implemented on user sites for the proprietary data. This includes:

Compound Collection – InhibOx can create from your compounds a private database with 3D models, full conformational analysis, calculation of all shape, charge and descriptor keys and your key compound data, to allow fast and flexible search across all of your available compounds
Virtual Library Build – we can take your reagent sets and your approved chemistries and combine them to build a virtual library of all your accessible compounds. As with the compound collection, this includes 3D models, full conformational analysis, and calculation of all shape, charge and descriptor keys. We work with you on the appropriate database building filters to ensure all entries constitute viable drug-like molecules
Fragment Library Creation – we can mark up your available compound collection to create for you a proprietary fragment library for your in-house design projects.

In each case, we create private, searchable databases for you and can take on the maintenance of these, to keep them current. We also provide you with the licenses for the technologies to search these rapidly and flexibly, providing new CADD capabilities for your team with your data. Scopius libraries can be added as an option, alongside the proprietary data.

Virtual Libraries