Chemical Space Search

  • CHEESE:

    Publication

  • Space searching in RDKit: Searching unreasonably large chemical spaces in reasonable amounts of time.

  • SpaceLight: Topological Similarity Search in Large Combinatorial Fragment Spaces

    Publication JIF

  • SpaceMACS: Maximum Common Substructure Searching in Combinatorial Make-on-Demand Compound Spaces

    Publication JIF

  • infiniSee: Chemical Space navigation platform