Design Hub

A single platform that connects scientific rationale, compound design and computational resources.
This is Chemaxon’s Design Hub for medicinal chemistry from analysis to prioritizing ideas.
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Follow the DMTA cycle

Analyze collected evidence from biological assays or experimental structural information, extract SAR and make new hypotheses for the next optimization iteration. Store your scientific hypotheses in a “designers ELN” (chemically aware drawing canvases). Create virtual compounds by de novo design or automated solutions and prioritize the best ones based on team opinion and informatics filters. Track progression of the design sets and assign tasks to the team. Communicate and share results with the team and management.
Scientific rationale in ChemAxon's Design Hub

Optimize compound ideas

Generate virtual compounds by de novo design, importing from external workflows, structure based searches in internal or external databases, enumerating or via MMP tools and characterize them based on synthetic feasibility, predictive models for 3D-protein interactions, physchem- and ADMET properties, as well as novelty searches in literature and commercial databases.
Compound Design in ChemAxon's Design Hub

Team work

Design Hub also facilitates teamwork for the 21st century with dedicated systems that allow integrating external synthesis collaborators into your workflow, without disclosing project details or sacrificing the time of team members by dealing with files or copies of information.

User Stories

Design HUB for Drug Discovery

This application study will put Design Hub, our design and idea management platform in the focus.

Design Hub End User View

The talk covers the implementation of Design Hub in the scope of BI’s eDesign landscape.

Patent application management using ChemCurator and Design Hub at Sprint Bioscience

Sprint Bioscience develops small molecule medicines, focusing on cancer and tumor metabolism.