We are proud and excited to release a novel, empowering tool — SpaceLight!
SpaceLight screens vast Chemical Spaces for close analogs of a compound based on Tanimoto-like fingerprint similarity.
Several fingerprint methods are available: Along the well-known Extended-Connectivity Fingerprints (ECFPs), novel Connected Subgraph Fingerprints (CSFPs) are supported:
- fCSFP: A fingerprint for fine-grained similarity measurement.
- tCSFP: A topological fingerprint method which discovers analogs with similar arrangement of functionalities.
- iCSFP: An independent fingerprint method using the maximum-common substructure as the similarity descriptor.
Read more about SpaceLight in our latest Software Spotlight.
Important note: Please use the latest versions of Chemical Spaces (as of December 15th) to run your SpaceLight searches.
SpaceLight is available as a stand-alone command-line version.