Bringing Robotic Synthesis to Chemical Space Exploration
A new Chemical Space is now available for your compound exploration: onepot’s CORE Space brings over 10 billion virtual product molecules to your drug discovery projects. CORE (Compounds On-demand via Robotic Execution) combines reactions widely used in medicinal chemistry with building blocks that have real-time supplier availability. Each product is scored by machine learning for feasibility under onepot’s own protocols, so the Space reflects what can actually be made.
10.2 B
Virtual product molecules
15
Chemical reactions
343,808
Synthons
How to Explore CORE Space
Explore CORE Space with infiniSee through three complementary search modes: Scaffold Hopper for pharmacophore-guided similarity, Analog Hunter for fingerprint-based analog searches, and Motif Matcher for substructure-focused exploration. The corresponding command-line tools FTrees, SpaceLight, and SpaceMACS also support integration into your own workflows.
For structure-based discovery, explore CORE Space within your target’s binding site using Chemical Space Docking® in SeeSAR and HPSee.
From Virtual Hit to Delivered Compound
Important note: CORE is exclusively distributed by onepot.
To preserve the patentability of its compounds, onepot provides CORE Space directly rather than as a public download in the BioSolveIT format. Four steps take you from access to compounds in your lab:
1. Request Access
Request CORE Space directly from onepot AI using the button below.
2. Search and Dock
Load the Space into infiniSee or SeeSAR and work with it like any other Chemical Space.
3. Order Compounds
Send your selected structures, compound IDs, and required quantities to onepot.
4. Receive Your Compounds
Onepot’s AI chemist plans each synthesis on robotic hardware, delivering over 90% purity by LC/MS in as little as 5 business days.
Learn more about pnepot’s CORe here.
Discover CORE Space and expect actives!