Services
Library Design
Chemspace's Delivering Discovery Solutions™ offers library design to help researchers identify new hits and improve hit rates in HTS campaigns.
We propose flexible collaboration business models tailored to meet all your needs and budget.
Delivering Discovery Solutions™ in library design has three main approaches:
Cheminformatics approach
We use key molecular and structural features, such as molecular weight, hydrogen bond donors/acceptors, etc., to design diversity-oriented libraries, drug-like libraries, lead-like libraries, fragment libraries, - among many others.
Target-based approach
With 3D structural information about a particular biological target or family of targets, we can use molecular docking to predict the binding affinity of the putative ligands. This makes the above virtual screening approach one of the most powerful techniques to “cherry-pick” the most promising compounds out of a billion-sized Chemspace catalog.
Ligand-based approach
When 3D structures of a particular biological target are unavailable, we can design a focused library based on the known binders
Library Synthesis
Chemspace's Delivering Discovery Solutions™ provides library synthesis through our valuable chemistry partners to support drug discovery projects. We offer flexible collaboration business models to meet your requirements and fit your budget expectations.
Common library synthesis models:
Make-on-demand analogs
Compounds for a library will be selected from Freedom Space, Enamine Database, REAL, xREAL or custom spaces.
Scaffold-based library
A scaffold provided by either Chemspace or a customer is decorated with a diverse set of building blocks.
Please contact us at sales@chem-space.com for more information.
