Space Builder

Build Massive Chemical Spaces with Great Ease

Ever thought about building an ultra-large combinatorial space from your proprietary building blocks, only to get sidelined by clunky, confusing software?

Those days are over. No Smarts, no Smirks, no hassle.

With Alipheron SpaceBuilder, anyone can create a virtual library. We’ve stripped away the frustrating code and non-intuitive processes so you can focus on the science.

Simply use our chemical editor to draw the reactions of your new ultra-large space. Draw atom and bond specific query features to match chemical reactivity.

The above reaction, or better transformation, describes an amide formation for building a combinatorial library:

• Reactant ‘A’ defines a primary or secondary amine:
  • an atom query feature on the nitrogen atom requires least one hydrogen atom ‘h>0’
  • the nitrogen has one carbon atom attached that also contains a query feature, which requires the absence of any pi electrons ‘pi0’
  • an exclude group ‘[!C]’ prohibits any non-carbon atoms to be connected to the hydrogen atom
• Reactant ‘B’ carries a query feature on the single bonded oxygen that prohibits any more heavy atom neighbours and, thus, causes an implicit hydrogen atom.
  
  

After drawing your reactions you just need to provide the building block catalog. SpaceBuilder will then do all the work, finding compatible building blocks for every reaction and build the entire space to be searched by HyperSpace Search and Pharos3D.

Whether you're looking to scale up your discovery efforts or just testing the waters, we’re here to support you every step of the way.

Send us your inquiry here.